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
Resources
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
5.5363 0.4691 0.8229 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2789 -0.4942 -0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8387 -0.9501 -0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0410 0.1938 -0.3085 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6135 0.1497 -0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2078 -1.0177 -0.0951 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8683 1.3662 -0.3437 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3997 1.5102 -0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3819 0.4543 -0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1812 -0.7641 -0.0193 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7661 0.8051 -0.1238 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7135 -0.2277 0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1168 0.2841 0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0825 -0.8479 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9691 1.4057 0.6514 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6252 0.6293 0.9014 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0980 -0.0085 1.7217 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3713 0.1008 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9999 -1.3276 -0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6857 -1.5167 0.7273 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6712 -1.6756 -1.0375 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4426 2.3363 -0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7767 2.5580 -0.4039 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6003 -0.9975 -0.7875 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5209 -0.7547 0.9983 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2228 0.9485 0.9325 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3670 0.8094 -0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9028 -0.8159 -0.5652 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6238 -0.8006 1.1852 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5915 -1.8216 0.1694 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