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
    3.1635    0.4617   -0.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9885   -0.2151    0.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7696   -0.9267    0.6439 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5998   -0.2231    0.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6698    1.0180    0.2654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7156   -0.9082    0.3921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8072    0.0649    0.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5027    1.2748    0.0120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1993   -0.3073    0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1340    0.5999   -0.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2819    0.2880   -1.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2036    1.5697   -0.5253 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0645    0.0757   -1.1765 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9395    0.5520    1.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8251   -0.9139    0.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9294   -1.4339    1.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6531   -1.6460   -0.4515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4983   -1.3331    0.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1802    0.3460   -0.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8858    1.6565   -0.2797 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