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
    3.4295    0.0323    0.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4712   -0.9254    0.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1744   -0.4031    0.8454 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4827   -0.1826   -0.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0261   -0.4694   -1.4037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655    0.3743   -0.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9175   -0.5515    0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7025   -1.7218    0.5801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2998   -0.0586    0.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5732    1.1769   -0.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4696   -0.3692    0.2432 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1099    0.2960   -0.7486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4736    0.9592    0.9144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7412   -0.9673    2.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5838   -1.9170    0.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9814    1.3052    0.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1563    0.7141   -1.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1131   -0.6794    0.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5797    1.5617   -0.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7731    1.8254   -0.6151 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