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
   -3.4785    0.5093   -0.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4422   -0.4272    0.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2132   -0.3314   -0.5393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1556   -1.1272   -0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3249   -1.9323    0.7869 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1630   -1.0551   -0.8647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1827   -0.3862   -0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8067   -1.0471    0.8532 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4791    1.0278   -0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3854    1.6104    0.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3779    0.7237   -1.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4802    0.0158   -0.2425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4631    1.4498    0.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8279   -1.4778    0.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3123   -0.2012    1.2402 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5247   -2.0805   -1.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0722   -0.5443   -1.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9479    1.5864   -0.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5999    2.6636    0.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9141    1.0236    1.3491 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