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
-2.1955 0.6767 1.2686 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.8656 -0.0727 0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8385 -0.5360 -0.5167 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5015 -0.2770 -0.2605 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4852 0.2357 0.4537 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8835 0.0491 0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1428 -0.6208 -0.9273 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9278 0.5729 0.8213 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.9963 -0.1207 0.3376 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1766 0.9405 -0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7003 0.8199 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1122 -0.4635 -0.5496 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0063 -0.4526 -0.1037 Sn 0 0 0 0 0 2 0 0 0 0 0 0
2.0827 -0.5205 0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8838 -0.6110 -0.8928 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3786 -0.6620 -0.5975 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7457 0.6068 0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2777 -0.8496 -1.1335 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2395 0.8218 1.3481 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3379 0.2161 1.3573 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5118 -1.1087 0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9353 -0.2755 -0.2398 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3572 1.0031 -1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4878 1.9353 0.1159 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4417 0.9100 1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1707 1.6500 -0.5578 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2042 -0.5275 -1.6662 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5382 -1.3506 -0.0444 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2620 -1.4378 0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3609 0.3997 0.9542 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5512 -1.5293 -1.4208 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6576 0.2378 -1.5809 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5790 -1.5512 0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9346 -0.7588 -1.5528 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2982 1.4816 -0.3968 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8572 0.6532 0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3850 0.5158 1.1810 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