Monomers

2-Methylidenebutanedioate;tributylstannanylium

Identifiers

IUPAC name
2-methylidenebutanedioate;tributylstannanylium
InchI
InChI=1S/C5H6O4.6C4H9.2Sn/c1-3(5(8)9)2-4(6)7;6*1-3-4-2;;/h1-2H2,(H,6,7)(H,8,9);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2
InchI Key
HCYQUDAPBSFLSL-UHFFFAOYSA-L
SMILES
[O-]C(=O)CC(=C)C(=O)[O-].CCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC
Canonical SMILES
CCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC.C=C(CC(=O)[O-])C(=O)[O-]
Isomeric SMILES
CCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC.C=C(CC(=O)[O-])C(=O)[O-]
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C29H58O4Sn2
Heavy Atom Count
35
Molecular Weight
708.201
Exact Molecular Weight
710.2379
Valence Electrons
206
Radical Electrons
0
tPSA
80.26
MolLogP
7.1955
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 93 90  0  0  0  0  0  0  0  0999 V2000
   -2.7954    0.5020    0.1931 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.7671   -0.3451   -0.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8004   -0.8627   -1.3076 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6863   -0.6057    0.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5800    0.0653    0.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6422   -0.6738    0.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6857    1.5213    0.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3290    2.2202    0.5253 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8835    2.1330   -0.0002 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.2885   -2.0788    0.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3128   -1.8995   -0.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1243   -1.0603    0.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1615   -0.8951   -0.9906 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5085    0.2975   -0.3659 Sn  0  0  0  0  0  3  0  0  0  0  0  0
    0.4029    2.4261   -0.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    3.1039    0.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3362    4.5824    0.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0196    5.3571    1.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4472   -0.6219   -0.3337 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465   -2.0845    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7768   -2.6218    0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8449   -4.0690    0.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1349    4.2147   -0.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7747    2.8236    0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5064    2.8247    0.8544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1865    1.4130    1.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1065    0.1543   -0.4428 Sn  0  0  0  0  0  3  0  0  0  0  0  0
    2.0804    0.2526   -1.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0173   -0.3360   -0.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4485   -0.3330   -0.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2946   -0.9277    0.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7427   -1.8265   -0.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2597   -1.7467   -0.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7584   -3.1755   -0.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2551   -3.1635   -0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5079   -1.7082    0.7625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0300   -0.3432    1.8020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5539   -1.7332    0.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5708   -0.1701   -0.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3277   -2.0142    0.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083   -3.0869    1.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1532   -1.3150    1.6865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8224   -1.4461   -1.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0003   -2.9144   -0.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5713   -1.5791    0.9676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4240   -0.0858    0.5423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7285   -0.4057   -1.8104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8541   -1.8974   -1.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4083    2.8754   -0.7909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1340    2.5795   -1.6171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3678    2.7521    0.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0960    2.8216    1.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7012    4.9882    0.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9037    4.7348   -0.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5859    5.0818    2.3202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1036    5.2386    1.3293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7914    6.4357    1.1959 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8911   -0.6008   -1.3509 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1102   -0.1286    0.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980   -2.6528   -0.6493 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9908   -2.2121    1.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3410   -1.9672    0.7579 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1819   -2.4079   -0.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9605   -4.6441    0.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7914   -4.4781   -0.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0220   -4.1076    1.5365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6748    4.4937   -1.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2484    4.2519   -0.5043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8361    4.9942    0.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5856    2.2247   -0.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5912    2.4142    0.6333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3319    3.2982    0.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7019    3.4056    1.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0473    1.0660    1.8971 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7048    1.4022    1.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3447    1.2799   -1.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1289   -0.4296   -2.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6584   -1.3418   -0.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9976    0.2768    0.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4728   -0.9689   -1.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7370    0.6992   -0.9903 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0863   -1.6011   -0.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6774   -1.5429    1.0316 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7303   -0.0970    0.9395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3032   -2.3280    0.5291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4741   -2.4110   -1.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7138   -1.1468   -1.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5017   -1.2646    0.7560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4587   -3.7432   -1.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2575   -3.6534    0.7041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4884   -2.7541    0.9787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6549   -2.5005   -0.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6614   -4.1979   -0.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  2  0
  7  9  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 14 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 27 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
  4 36  1  0
  4 37  1  0
  6 38  1  0
  6 39  1  0
 10 40  1  0
 10 41  1  0
 10 42  1  0
 11 43  1  0
 11 44  1  0
 12 45  1  0
 12 46  1  0
 13 47  1  0
 13 48  1  0
 15 49  1  0
 15 50  1  0
 16 51  1  0
 16 52  1  0
 17 53  1  0
 17 54  1  0
 18 55  1  0
 18 56  1  0
 18 57  1  0
 19 58  1  0
 19 59  1  0
 20 60  1  0
 20 61  1  0
 21 62  1  0
 21 63  1  0
 22 64  1  0
 22 65  1  0
 22 66  1  0
 23 67  1  0
 23 68  1  0
 23 69  1  0
 24 70  1  0
 24 71  1  0
 25 72  1  0
 25 73  1  0
 26 74  1  0
 26 75  1  0
 28 76  1  0
 28 77  1  0
 29 78  1  0
 29 79  1  0
 30 80  1  0
 30 81  1  0
 31 82  1  0
 31 83  1  0
 31 84  1  0
 32 85  1  0
 32 86  1  0
 33 87  1  0
 33 88  1  0
 34 89  1  0
 34 90  1  0
 35 91  1  0
 35 92  1  0
 35 93  1  0
M  CHG  4   1  -1   9  -1  14   1  27   1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers