Monomers
Dipropyl maleate
Identifiers
IUPAC name
dipropyl (Z)-but-2-enedioate
InchI
InChI=1S/C10H16O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-
InchI Key
DSTWFRCNXMNXTR-WAYWQWQTSA-N
SMILES
CCCOC(=O)/C=C\C(=O)OCCC
Canonical SMILES
CCCOC(=O)C=CC(=O)OCCC
Isomeric SMILES
CCCOC(=O)/C=C\C(=O)OCCC
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H16O4
Heavy Atom Count
14
Molecular Weight
200.234
Exact Molecular Weight
200.1049
Valence Electrons
80
Radical Electrons
0
tPSA
52.6
MolLogP
1.449
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
30 29 0 0 0 0 0 0 0 0999 V2000
4.6829 2.0714 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7675 0.9736 0.4149 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7009 -0.1756 -0.5334 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8762 -1.2338 -0.1443 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4992 -1.0331 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0918 0.1206 -0.1641 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6669 -2.1245 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5883 -2.1403 0.6612 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5809 -1.0994 0.5815 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2744 0.0520 0.2547 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9087 -1.3152 0.8587 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0147 -0.5311 0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5444 0.0457 -0.4024 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6661 0.9789 -1.1532 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7128 1.8023 0.2176 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5983 2.2288 -1.1829 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4253 2.9947 0.4731 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7933 1.4436 0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2079 0.5864 1.3754 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2678 0.2340 -1.4936 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7027 -0.6144 -0.7506 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2097 -3.1175 0.5887 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0129 -3.1341 0.9706 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8466 -1.1375 1.3564 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9393 0.3454 1.5847 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9551 -0.7296 -1.1083 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4790 0.6408 -0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1976 1.7174 -0.4886 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9023 0.5082 -1.7894 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2928 1.6424 -1.8543 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 2 0
5 7 1 0
7 8 2 3
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
1 15 1 0
1 16 1 0
1 17 1 0
2 18 1 0
2 19 1 0
3 20 1 0
3 21 1 0
7 22 1 0
8 23 1 0
12 24 1 0
12 25 1 0
13 26 1 0
13 27 1 0
14 28 1 0
14 29 1 0
14 30 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers