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
   -3.7494    0.4865    0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7049   -0.6118    0.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4492   -0.0113    0.1168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2438   -0.6728    0.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2461   -1.8935    0.4860 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9971    0.1096    0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2150   -0.7130    0.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1164   -1.9597    0.4984 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5048   -0.0617    0.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6176    1.2211   -0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5783    0.0833   -0.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1992    0.7263    1.0088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2942    1.3826   -0.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8540   -1.4475   -0.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7913   -1.0215    1.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0242    0.9085    0.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9747    0.5825   -0.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3936   -0.6540    0.2425 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7139    1.7997   -0.2384 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5530    1.7465   -0.2280 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