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
    3.2767   -0.7144   -0.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5668    0.6016   -0.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1685    0.4858   -0.4466 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5066    0.0656    0.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2055   -0.2402    1.6851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9540   -0.0549    0.8031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6635    0.3255   -0.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0580    0.7096   -1.4520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1143    0.2602   -0.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8131   -0.1430    0.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5230   -1.1973   -1.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7061   -1.4009    0.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2522   -0.5119    0.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0030    1.3641    0.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7653    0.9350   -1.6216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2672    0.6574    1.6166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2711   -1.0607    1.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6594    0.5333   -1.3442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2819   -0.4245    1.5194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8912   -0.1902    0.5808 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