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
-3.9073 0.2686 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6775 -0.4836 0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5749 0.3843 -0.0861 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2828 0.0799 0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0862 -1.0545 0.7685 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8779 0.9692 0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1443 0.3716 0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4327 0.3857 1.6874 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0784 -0.2384 -0.4617 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2150 -0.7724 -0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9878 1.2734 0.0848 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8960 0.3707 -1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7979 -0.3046 -0.0703 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6054 -1.4213 -0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8237 -0.7267 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7147 1.9824 0.4869 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9284 1.1770 -1.0769 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8533 -0.2643 -1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4899 -0.7745 1.0089 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9050 -1.2225 -0.7400 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