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
-1.2199 1.7378 -0.0463 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.5625 0.4215 -0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8216 0.1516 -0.0521 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6361 -0.6502 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6567 -0.6753 0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5543 0.4269 0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8205 0.1874 0.0472 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1662 1.7530 -0.0044 O 0 0 0 0 0 1 0 0 0 0 0 0
4.1996 0.5974 0.4152 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3862 -0.3804 1.2033 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0729 -1.5779 0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2833 -1.0700 -0.8963 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4722 -0.1390 -0.3077 Sn 0 0 0 0 0 2 0 0 0 0 0 0
-1.3787 0.7408 0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5208 0.0705 -0.4969 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7922 0.7751 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0157 0.2312 -0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1343 -1.6744 0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1768 -1.6781 0.0448 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9838 1.0082 1.0989 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6687 0.1768 -0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6133 1.4924 0.0804 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8561 -0.6873 2.1446 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4035 0.1213 1.4245 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3705 -2.2156 0.9079 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9668 -2.1136 0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9452 -0.3515 -1.4419 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0955 -1.8981 -1.6106 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4348 1.8290 0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6145 0.5840 1.3496 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4073 0.1949 -1.5906 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6211 -0.9970 -0.2089 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6785 1.8677 -0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8215 0.5858 1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8300 0.9969 -0.5594 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3614 -0.7019 -0.1872 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8411 0.1178 -1.7389 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