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
0.9365 -1.7785 0.7511 O 0 0 0 0 0 1 0 0 0 0 0 0
1.4241 -0.4849 0.6791 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6189 -0.3350 1.1327 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6835 0.6032 0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5004 0.6737 -0.3436 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4901 -0.3509 -0.5315 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2710 -1.5283 -0.1969 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7526 -0.0631 -1.1039 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.9304 0.3069 0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0327 1.3246 -0.4172 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6934 0.6408 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0723 0.1942 0.6339 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1949 -0.7520 0.1337 Sn 0 0 0 0 0 2 0 0 0 0 0 0
1.7462 -1.5162 -0.3692 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7668 -0.4371 -0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1628 -0.8682 -0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0784 0.3254 -0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2260 1.5850 0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8750 1.6787 -0.7053 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5876 0.2280 1.3362 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9814 0.7134 0.2399 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8631 -0.6579 -0.2521 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4866 1.6644 -1.3664 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8820 2.2111 0.2071 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0426 1.3581 -1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8216 -0.2499 -1.3062 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6971 -0.5291 1.1578 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9131 1.0812 1.2832 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9448 -2.3836 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7694 -1.9185 -1.3981 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7319 -0.1365 0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5108 0.4062 -0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4456 -1.6865 0.2334 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2732 -1.2093 -1.5249 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9498 0.3328 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4805 1.2731 -0.3306 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3385 0.2846 0.8681 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