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
-3.6309 -0.6321 0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5070 0.3422 -0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3041 -0.1494 0.5848 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1491 0.6354 0.5714 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2384 1.7559 0.0170 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1222 0.1715 1.1782 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8207 -0.8389 0.3335 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2873 -1.9973 0.3328 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0047 -0.5592 -0.4295 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6113 0.5915 -0.4931 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4746 -0.2971 0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2425 -1.5916 0.4803 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0623 -0.8218 -0.9703 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3816 0.7498 -1.0102 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8152 1.1965 0.6781 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9764 -0.2962 2.1805 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8042 1.0251 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4083 -1.4121 -0.9936 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5133 0.6715 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2573 1.4566 0.0470 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