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
    3.7570    0.0649   -0.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4605   -0.5555    0.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4096    0.1357   -0.3537 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0719   -0.1591   -0.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1409   -1.0588    0.7538 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0579    0.5323   -0.7858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9994    1.1398    0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7827    2.3259    0.5710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1558    0.4115    0.6784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4174   -0.8284    0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9294   -0.2398   -1.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5988    1.1797   -0.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5894   -0.1612    0.5249 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4416   -1.6446    0.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4112   -0.4541    1.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5886   -0.1566   -1.4800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5935    1.3180   -1.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8489    0.8821    1.3852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7974   -1.3740   -0.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2870   -1.3576    0.6966 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