Monomers
Dibutyl maleate
Identifiers
IUPAC name
dibutyl (Z)-but-2-enedioate
InchI
InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7-
InchI Key
JBSLOWBPDRZSMB-FPLPWBNLSA-N
SMILES
CCCCOC(=O)/C=C\C(=O)OCCCC
Canonical SMILES
CCCCOC(=O)C=CC(=O)OCCCC
Isomeric SMILES
CCCCOC(=O)/C=C\C(=O)OCCCC
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H20O4
Heavy Atom Count
16
Molecular Weight
228.288
Exact Molecular Weight
228.1362
Valence Electrons
92
Radical Electrons
0
tPSA
52.6
MolLogP
2.2292
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
36 35 0 0 0 0 0 0 0 0999 V2000
6.4371 0.2319 -0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0338 0.0462 -0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2675 -0.9061 -1.0741 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8447 -1.0765 -0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2687 0.2170 -0.5484 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9514 0.4525 -0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3515 -0.5772 0.2705 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4485 1.7865 -0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7220 2.1825 0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8467 1.4235 0.7198 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9178 2.0988 0.9892 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9087 0.0984 0.9648 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8885 -0.7391 1.4303 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9905 -1.0260 0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8037 0.1025 0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9455 -0.4432 -0.9072 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9940 0.8152 0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9037 -0.7496 -0.8761 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4224 0.8808 -1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5420 1.0293 -0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0866 -0.3583 0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2390 -0.5018 -2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7913 -1.8774 -1.0717 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8612 -1.5317 0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2579 -1.6850 -1.2551 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1486 2.5577 -0.5417 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8859 3.2914 0.0622 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2574 -0.4091 2.4565 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3898 -1.7464 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6434 -1.8340 0.9759 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5256 -1.5532 -0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2316 0.7790 0.7533 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2129 0.7226 -0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7462 -0.8503 -0.2548 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3907 0.3960 -1.4779 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5427 -1.2470 -1.5384 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 2 0
6 8 1 0
8 9 2 3
9 10 1 0
10 11 2 0
10 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
1 17 1 0
1 18 1 0
1 19 1 0
2 20 1 0
2 21 1 0
3 22 1 0
3 23 1 0
4 24 1 0
4 25 1 0
8 26 1 0
9 27 1 0
13 28 1 0
13 29 1 0
14 30 1 0
14 31 1 0
15 32 1 0
15 33 1 0
16 34 1 0
16 35 1 0
16 36 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers