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
Resources
cid=

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
   -3.1342   -0.6648   -0.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7967    0.6758    0.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4169    0.9181    0.3122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4270    0.1003    0.8174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7615   -0.9124    1.4872 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0193    0.3474    0.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6070   -0.5258   -0.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8837   -1.3604   -1.0028 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0047   -0.4260   -0.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.4438   -0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4823   -0.8647   -0.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1980   -0.7525   -0.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9699   -1.4228    0.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3388    1.4403   -0.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0933    0.7874    1.5592 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1746    1.4058    0.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5530    0.2439    1.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4366   -1.0610   -1.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3517    1.0900    0.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8177    0.5375   -0.3605 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