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
-2.7870 1.2835 -0.0489 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.8787 0.2504 -0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3081 -0.9187 -0.1526 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4307 0.4631 0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4305 -0.5166 -0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8377 -0.2295 0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2703 0.9551 0.1529 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8050 -1.2477 0.0517 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.3984 0.7613 -0.5622 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2390 0.4577 0.3312 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1297 -1.0511 0.5155 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9247 -1.2719 1.4379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2201 -0.4384 0.4283 Sn 0 0 0 0 0 2 0 0 0 0 0 0
1.5677 0.3547 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6827 -0.6097 -0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9949 -0.1682 -0.8059 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4566 1.1506 -0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0282 1.4859 0.0828 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0892 -1.5255 -0.0824 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1834 1.3024 0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8562 -0.1629 -0.9753 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0491 1.3491 -1.4421 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2615 0.7836 -0.1144 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3321 0.9401 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9543 -1.5616 -0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0554 -1.4761 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8284 -2.3870 1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0961 -0.8232 2.4202 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7337 1.3474 -0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3816 0.5225 -1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7461 -0.7944 0.8592 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4104 -1.5693 -0.7189 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9624 -0.1823 -1.8958 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7563 -0.9329 -0.4988 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8366 1.0103 0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3067 1.5105 -0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6926 1.9389 -0.2858 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