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
3.1654 -0.5563 -0.1129 O 0 0 0 0 0 1 0 0 0 0 0 0
1.9595 0.1585 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0158 1.2684 0.6888 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7531 -0.5491 -0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5444 0.0782 0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8045 1.2453 0.5431 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7133 -0.7248 -0.4252 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5276 -1.8403 -0.9400 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9765 -0.2101 -0.2440 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.6098 -1.8704 0.8742 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1979 -1.3303 -0.4805 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0460 -2.1548 -0.9883 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8464 -2.1072 -0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1242 -0.1060 0.1642 Sn 0 0 0 0 0 3 0 0 0 0 0 0
1.7027 0.1660 1.2836 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8517 -0.0607 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8661 -1.4241 -0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9676 -2.5298 0.7419 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4806 1.2823 -1.4359 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1563 2.6227 -1.1229 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4875 3.1225 0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1510 4.4603 0.4813 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6410 5.2059 0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9629 4.0189 -0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3863 2.7237 -0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7847 1.6238 -1.0791 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0358 -0.2694 -0.4043 Sn 0 0 0 0 0 3 0 0 0 0 0 0
1.9778 -0.8820 -0.8038 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7801 -0.9982 0.4838 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1813 -1.4372 0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7260 -0.3836 -0.8494 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4060 -1.7160 0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7843 -1.5667 -0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6929 -2.6268 0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1548 -4.0169 0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7617 -0.8426 -1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8050 -1.5619 0.2987 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8349 1.6087 0.6644 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0594 1.9260 0.8983 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3693 -2.9586 0.8712 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9999 -1.4187 1.6812 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7002 -1.7270 1.0265 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9487 -0.2697 -0.4562 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0548 -1.5218 -1.1636 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3543 -3.1989 -1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7090 -1.6606 -1.9458 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0820 -2.7844 -0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0762 -2.5023 0.9432 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7389 1.2146 1.6412 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6908 -0.4903 2.1456 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7977 0.1112 0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8139 0.6793 -0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7524 -1.4927 -0.9271 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9802 -1.6119 -0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9650 -3.4935 0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1294 -2.5903 1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9447 -2.5264 1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5711 1.3988 -1.5619 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0527 0.8939 -2.3925 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0584 3.3287 -1.9485 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2434 2.5199 -1.0096 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3604 2.3853 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5771 3.2239 0.0067 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1366 4.6258 1.5948 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2111 4.5024 0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3931 5.2925 -0.0196 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5756 5.8189 0.2939 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2601 4.8659 1.1356 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0889 5.8857 -0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0696 3.8587 -0.7173 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5825 4.1990 -1.6997 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8451 2.5059 0.8526 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7071 2.7998 -0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8904 1.6124 -1.1269 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4332 1.8597 -2.1057 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9245 -1.9081 -1.2252 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4980 -0.1733 -1.4674 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3577 -1.7645 1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8636 -0.0350 1.0168 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8109 -1.6484 0.9326 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0715 -2.3769 -0.5476 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5883 -0.6522 -1.9313 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2495 0.6135 -0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8256 -0.2455 -0.7192 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0725 -2.7586 0.1253 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5255 -1.6687 1.4488 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2139 -0.5861 -0.0288 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7272 -1.6805 -1.3807 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7311 -2.5212 -0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7114 -2.5021 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4029 -4.0089 -0.7911 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7622 -4.4953 0.9586 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9994 -4.6695 -0.3059 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