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
1.2579 1.6514 0.9677 O 0 0 0 0 0 1 0 0 0 0 0 0
1.5358 0.3755 0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7815 0.0784 0.5924 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6261 -0.6471 0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6475 -0.6503 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5366 0.4291 0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8137 0.2998 0.0993 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1794 1.6757 0.7286 O 0 0 0 0 0 1 0 0 0 0 0 0
4.6117 -0.0361 1.0258 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2135 -0.4892 -0.3646 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7012 -0.4646 -0.4967 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1573 0.9350 -0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0243 0.8866 -0.4720 Sn 0 0 0 0 0 2 0 0 0 0 0 0
-2.1385 0.8930 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6265 -0.0322 0.5059 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1263 -0.1366 0.5741 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7099 -0.6437 -0.7213 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1111 -1.6262 -0.1513 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1354 -1.5864 -0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4902 -0.6246 1.4049 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8619 1.0330 0.9553 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7278 -0.1333 1.6854 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6846 0.1307 -1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5499 -1.5428 -0.4563 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2982 -1.1290 0.2955 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3987 -0.8771 -1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3869 1.2159 0.7839 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6043 1.6625 -0.9588 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5057 1.9352 -0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4665 0.6170 -1.5743 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2619 0.3456 1.4822 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2445 -1.0564 0.2791 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6087 0.7947 0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3491 -0.9064 1.3672 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4734 0.0630 -1.1025 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9381 -0.8255 -1.4952 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2616 -1.6145 -0.5691 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