Monomers
Ethyl 3-oxopent-4-enoate
Identifiers
IUPAC name
ethyl 3-oxopent-4-enoate
InchI
InChI=1S/C7H10O3/c1-3-6(8)5-7(9)10-4-2/h3H,1,4-5H2,2H3
InchI Key
IEZWUJDDYLWKEP-UHFFFAOYSA-N
SMILES
CCOC(=O)CC(=O)C=C
Canonical SMILES
CCOC(=O)CC(=O)C=C
Isomeric SMILES
CCOC(=O)CC(=O)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H10O3
Heavy Atom Count
10
Molecular Weight
142.154
Exact Molecular Weight
142.063
Valence Electrons
56
Radical Electrons
0
tPSA
43.37
MolLogP
0.6947
H Bond Acceptors
3
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
20 19 0 0 0 0 0 0 0 0999 V2000
-3.7494 0.4865 0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7049 -0.6118 0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4492 -0.0113 0.1168 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2438 -0.6728 0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2461 -1.8935 0.4860 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9971 0.1096 0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2150 -0.7130 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1164 -1.9597 0.4984 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5048 -0.0617 0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6176 1.2211 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5783 0.0833 -0.6207 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1992 0.7263 1.0088 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2942 1.3826 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8540 -1.4475 -0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7913 -1.0215 1.2653 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0242 0.9085 0.8712 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9747 0.5825 -0.9051 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3936 -0.6540 0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7139 1.7997 -0.2384 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5530 1.7465 -0.2280 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 2 0
4 6 1 0
6 7 1 0
7 8 2 0
7 9 1 0
9 10 2 3
1 11 1 0
1 12 1 0
1 13 1 0
2 14 1 0
2 15 1 0
6 16 1 0
6 17 1 0
9 18 1 0
10 19 1 0
10 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers