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
-4.7002 -0.4889 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8339 0.4592 0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2008 -0.1635 -1.1796 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8393 -0.4013 -0.8917 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9023 0.5413 -0.5627 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2674 1.7413 -0.5071 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5015 0.2060 -0.2753 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3347 1.1821 0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7215 0.8927 0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5072 1.8171 0.6153 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1574 -0.4156 0.2720 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4726 -0.8205 0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4409 -0.1757 -0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8247 -0.6888 -0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5457 -0.2821 1.9136 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6962 -1.5415 0.9051 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7691 -0.3055 1.7993 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4029 1.4312 0.3291 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9257 0.6671 -0.1253 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7240 -1.1101 -1.4108 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3304 0.4962 -2.0639 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1417 -0.8140 -0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0047 2.2125 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4964 -1.9251 0.4634 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7457 -0.5318 1.5732 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1755 -0.4346 -1.4765 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4179 0.9205 -0.3566 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0037 -1.7072 -0.4489 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8857 -0.7575 1.0518 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5929 -0.0037 -0.4454 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