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
2.9197 -1.0637 -0.2505 O 0 0 0 0 0 1 0 0 0 0 0 0
1.7712 -0.4460 0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7467 0.0929 1.3646 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5886 -0.4637 -0.6851 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5772 0.2082 -0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0985 1.2409 -0.7146 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1395 -0.2841 1.1427 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1397 0.2780 1.6570 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6280 -1.3743 1.8318 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.2092 3.9223 0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5835 3.4262 1.3988 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9906 2.0550 1.1237 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9578 2.2447 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0113 0.3900 -0.4822 Sn 0 0 0 0 0 3 0 0 0 0 0 0
1.8245 0.4601 -1.5370 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9829 -0.1232 -0.7895 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2905 0.5341 0.5052 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4943 -0.2094 1.0966 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9265 -1.4839 -0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8696 -2.4068 -1.2834 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5246 -3.7240 -0.9642 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8386 -4.4273 0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5687 -3.2412 0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2268 -2.6717 0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2345 -3.0398 -0.5985 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1021 -2.4692 -0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0640 -0.3586 0.0529 Sn 0 0 0 0 0 3 0 0 0 0 0 0
1.8237 0.5827 0.8546 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0186 -0.1656 0.2908 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2948 0.4518 0.8201 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4828 -0.2975 0.2553 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3274 0.8969 -1.0138 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4292 2.1836 -0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3800 3.1681 -0.8658 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4297 4.4147 -0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2816 -1.5259 -0.9001 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9105 -0.0089 -1.6294 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6836 1.6018 -1.6328 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9517 1.7450 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0610 4.5717 0.3711 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4713 4.4896 -0.4736 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5250 3.0495 -0.5197 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7571 4.1257 1.6501 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2979 3.4172 2.2387 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4483 1.6959 2.0259 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7603 1.3401 0.8191 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3790 2.7352 -0.8632 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1754 2.9107 0.4462 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0975 1.4826 -1.8707 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7075 -0.1372 -2.4739 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8732 -0.0434 -1.4474 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8509 -1.2146 -0.5975 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5340 1.5915 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4414 0.4270 1.2335 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6360 0.0034 2.1566 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2742 -1.2988 0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3886 0.0046 0.4727 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9357 -1.4172 0.3251 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3062 -1.9914 0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1583 -2.5802 -1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4171 -1.9746 -2.1479 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3867 -4.3770 -1.8529 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6084 -3.6026 -0.7591 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2247 -4.5365 -0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0021 -3.9048 1.1473 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3353 -5.4242 0.2892 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1569 -3.4031 1.0019 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0590 -2.5191 -0.5721 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3938 -4.2151 -0.4347 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8743 -3.0835 1.4632 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3099 -1.5686 0.5959 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1225 -4.1448 -0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5469 -2.6591 -1.5768 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4355 -2.9414 0.7675 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8964 -2.7170 -0.9338 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8653 1.6511 0.6467 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7659 0.4506 1.9631 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9427 -0.1030 -0.8094 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9076 -1.2252 0.6251 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2800 0.3993 1.9111 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3086 1.5046 0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6699 -1.1525 0.9608 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3268 0.4043 0.2051 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1969 -0.7034 -0.7505 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2999 0.3994 -1.1431 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9111 1.1783 -2.0165 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4291 2.5951 -0.0944 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8739 1.9088 0.7668 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3695 2.7065 -0.9318 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0193 3.4634 -1.8822 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4969 4.7676 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0455 4.2928 0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8769 5.2601 -0.5251 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