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
3.1635 0.4617 -0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9885 -0.2151 0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7696 -0.9267 0.6439 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5998 -0.2231 0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6698 1.0180 0.2654 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7156 -0.9082 0.3921 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8072 0.0649 0.1484 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5027 1.2748 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1993 -0.3073 0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1340 0.5999 -0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2819 0.2880 -1.3309 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2036 1.5697 -0.5253 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0645 0.0757 -1.1765 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9395 0.5520 1.4691 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8251 -0.9139 0.8885 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9294 -1.4339 1.3493 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6531 -1.6460 -0.4515 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4983 -1.3331 0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1802 0.3460 -0.2287 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8858 1.6565 -0.2797 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