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
-1.7650 0.7971 1.5848 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.7952 -0.0667 0.5013 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8982 -0.5968 0.2263 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5949 -0.3271 -0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5351 0.2541 0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7874 0.0533 -0.6349 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8012 -0.7298 -1.6317 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9581 0.6876 -0.2523 O 0 0 0 0 0 1 0 0 0 0 0 0
3.6746 -1.1243 -0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0154 -0.2992 -1.1386 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1243 1.1523 -0.7832 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4438 1.4640 0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3629 0.9790 0.4762 Sn 0 0 0 0 0 2 0 0 0 0 0 0
-1.7814 0.9369 0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2548 -0.3367 0.9384 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7535 -0.4282 0.8538 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2473 -0.4089 -0.5805 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5575 -0.9901 -1.1135 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5291 0.9185 0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8711 -1.6010 0.5729 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3482 -0.5029 0.5685 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2537 -1.9253 -0.5612 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9394 -0.5626 -1.1978 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5384 -0.4447 -2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1650 1.4746 -0.8054 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5560 1.7320 -1.5575 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6345 2.5287 0.7462 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8976 0.8810 1.3744 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0677 0.9011 -0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2516 1.7829 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8433 -1.2307 0.4016 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9763 -0.4314 2.0011 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2343 0.4474 1.3552 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1235 -1.3721 1.3109 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0617 0.5747 -1.0507 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8589 -1.2514 -1.1778 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3708 -0.4948 -0.5077 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