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
   -3.1003    0.8496    0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8220   -0.5631    0.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4846   -0.7626    0.8224 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3946   -0.5960    0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5585   -0.2289   -1.1669 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0057   -0.8136    0.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9807   -0.5604   -0.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7846   -1.1535   -1.6791 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1344    0.3116   -0.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4362    0.9854    0.6305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8731    1.6063    0.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6131    1.0911   -0.9867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1967    0.9199   -0.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1824   -1.2402   -0.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4531   -0.7534    1.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2572   -0.2184    1.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0898   -1.8868    0.8636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7927    0.4209   -1.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8770    0.9636    1.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3201    1.6287    0.6463 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