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
-0.0271 -3.1302 -1.3911 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0908 -2.9999 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5014 -1.7895 0.5688 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0164 -0.5791 0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9942 -0.6117 -0.6536 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6000 0.6855 0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1092 1.8264 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0778 1.6102 -0.7674 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2816 3.1977 0.2883 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3742 4.1823 -0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9497 -2.6492 -1.7997 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8205 -2.5689 -1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0205 -4.1663 -1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5148 -3.8332 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1189 -3.1231 0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6906 0.7117 0.3678 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5016 0.6765 1.7181 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1127 3.3797 0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0899 5.1923 -0.0509 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1955 3.9889 -0.9113 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