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
2.8423 0.2454 -0.9368 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8800 -0.2226 -0.0575 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1615 -0.9354 0.9260 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4972 0.1601 -0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5088 -0.2245 0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8396 0.2001 0.0822 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7987 -0.1566 0.7984 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1252 0.9946 -1.0201 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.9788 0.9396 0.9881 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2675 -0.3753 0.9758 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1313 -0.9702 -0.3921 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3593 -0.0847 -1.3414 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3817 0.2459 -0.5759 Sn 0 0 0 0 0 2 0 0 0 0 0 0
1.6516 0.6421 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5783 -0.0993 -0.9755 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0208 0.1312 -0.6419 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3600 -0.3389 0.7424 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2636 0.7786 -1.1907 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3724 -0.8397 1.3021 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5614 1.6832 0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0676 0.8302 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8513 1.3731 2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8607 -1.0849 1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2530 -0.2746 1.4035 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5141 -1.9047 -0.2749 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0910 -1.3047 -0.8355 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3062 -0.6206 -2.3124 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8231 0.8834 -1.5201 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8157 1.7221 -0.0505 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8280 0.1988 1.0011 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3794 0.2757 -2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3762 -1.1759 -0.9447 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6258 -0.4572 -1.3525 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3268 1.1902 -0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2373 0.4693 1.4712 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4439 -0.6242 0.7658 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8031 -1.2697 1.0133 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