Monomers
Dibutyltinmaleate
Identifiers
IUPAC name
(Z)-but-2-enedioate;dibutyltin(2+)
InchI
InChI=1S/C4H4O4.2C4H9.Sn/c5-3(6)1-2-4(7)8;2*1-3-4-2;/h1-2H,(H,5,6)(H,7,8);2*1,3-4H2,2H3;/q;;;+2/p-2/b2-1-;;;
InchI Key
ZBBLRPRYYSJUCZ-GRHBHMESSA-L
SMILES
[O-]C(=O)/C=C\C(=O)[O-].CCCC[Sn+2]CCCC
Canonical SMILES
CCCC[Sn+2]CCCC.C(=CC(=O)[O-])C(=O)[O-]
Isomeric SMILES
CCCC[Sn+2]CCCC.C(=C\C(=O)[O-])\C(=O)[O-]
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H20O4Sn
Heavy Atom Count
17
Molecular Weight
346.999
Exact Molecular Weight
348.0384
Valence Electrons
96
Radical Electrons
0
tPSA
80.26
MolLogP
0.1698
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
37 35 0 0 0 0 0 0 0 0999 V2000
1.3261 -1.1572 -1.1963 O 0 0 0 0 0 1 0 0 0 0 0 0
1.6020 -0.1642 -0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8361 0.1021 -0.1541 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6319 0.5404 0.4486 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6670 0.4239 0.4542 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4945 -0.4546 -0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1555 -1.3157 -1.1260 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8976 -0.4069 -0.1248 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.2029 0.6540 1.4948 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2902 -0.3734 0.8161 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0789 0.0926 -0.5882 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2026 -0.8014 -1.4039 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2524 -0.9535 -0.5030 Sn 0 0 0 0 0 2 0 0 0 0 0 0
1.6635 -1.1043 0.4045 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4958 0.1605 0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8276 -0.1158 0.9126 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6996 1.1129 0.7473 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0452 1.3231 1.1425 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2269 1.1091 1.1427 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9418 0.9867 0.7286 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5778 1.5632 1.7133 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6792 0.2336 2.3821 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8159 -1.3701 0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3669 -0.3962 1.4263 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0638 0.1666 -1.0764 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6358 1.0932 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0491 -0.3095 -2.3908 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6296 -1.7896 -1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2645 -1.9395 -0.0273 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5585 -1.2069 1.5195 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6940 0.3481 -0.8502 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0063 1.0364 0.6721 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6557 -0.2690 1.9929 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2750 -1.0072 0.4291 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6858 0.9188 1.2278 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1665 1.9531 1.2495 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7942 1.3167 -0.3327 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 2 3
5 6 1 0
6 7 2 0
6 8 1 0
9 10 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
4 18 1 0
5 19 1 0
9 20 1 0
9 21 1 0
9 22 1 0
10 23 1 0
10 24 1 0
11 25 1 0
11 26 1 0
12 27 1 0
12 28 1 0
14 29 1 0
14 30 1 0
15 31 1 0
15 32 1 0
16 33 1 0
16 34 1 0
17 35 1 0
17 36 1 0
17 37 1 0
M CHG 3 1 -1 8 -1 13 2
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers