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
   -3.1927    0.2313    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5085    0.1698   -1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0892    0.3011   -1.1942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4081   -0.5826   -0.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0623   -1.5168    0.1657 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0549   -0.5280   -0.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4387    0.5153    0.7942 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5473    1.2489    1.2834 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8108    0.7060    1.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7553   -0.0870    0.6663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5998    0.8760    0.6735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3197   -0.8034    0.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2157    0.6656   -0.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9059    1.0125   -1.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7525   -0.7818   -1.8324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4070   -1.5448    0.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5570   -0.3966   -1.1673 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1247    1.4661    1.8985 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8113    0.0253    0.9424 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5474   -0.8715   -0.0464 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