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
-3.8816 0.0079 0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6255 -0.5934 -0.4508 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5488 0.2286 -0.0397 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2382 0.0039 -0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0662 -0.9745 -1.0910 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7910 0.9409 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1440 0.5586 -0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5020 0.8435 -1.5074 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0258 -0.1389 0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2415 -0.5009 0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6559 0.7564 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5328 -0.7588 0.6054 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4397 0.5755 -0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5030 -1.6451 -0.1344 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6870 -0.5423 -1.5563 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7223 0.8969 1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5206 1.9833 -0.2236 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6496 -0.3546 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8712 -1.0134 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5783 -0.2736 -0.7694 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