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
1.7430 1.8180 0.0569 O 0 0 0 0 0 1 0 0 0 0 0 0
0.9624 1.2914 -0.9584 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0985 1.7677 -2.1048 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0371 0.2223 -0.6307 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0497 -0.2243 0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9750 -1.2881 0.9015 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6920 -1.7821 0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0888 -1.7835 2.1933 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.2298 1.0302 -0.5522 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9973 0.7472 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8181 -0.7367 0.5262 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5691 -0.9154 1.3525 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0651 -0.1036 0.1955 Sn 0 0 0 0 0 2 0 0 0 0 0 0
1.7141 0.3981 -1.0832 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7947 -0.6660 -0.9636 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2926 -0.7634 0.4509 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8755 0.5267 0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5994 -0.2191 -1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5639 0.1977 1.3619 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3203 0.3448 -1.4303 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1611 1.0064 0.0474 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1148 2.0503 -0.9666 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0901 1.2766 1.2299 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1132 1.0662 -0.3291 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6658 -1.1691 1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6470 -1.2628 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4025 -1.9938 1.5524 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6104 -0.3843 2.3096 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0930 1.4019 -0.7873 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3688 0.4904 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5768 -0.5589 -1.7166 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2762 -1.6389 -1.1858 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4528 -1.1108 1.0837 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0503 -1.5794 0.4768 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9316 0.3382 1.2762 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9188 1.2914 0.1156 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3294 0.9148 1.8116 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