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
    3.4437   -0.5255   -0.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9122    0.8592    0.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6020    1.0340   -0.3928 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4928    0.3755    0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6391   -0.4721    0.9798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8818    0.5871   -0.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8820   -0.2435    0.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5054   -1.0349    1.1171 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2690   -0.1398   -0.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2096   -0.8714    0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5495   -0.4471   -0.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3538   -1.1355    0.8334 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9757   -1.0113   -0.9727 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0619    1.1711    1.1171 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5568    1.5631   -0.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1533    1.6701   -0.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9578    0.4361   -1.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5378    0.5514   -0.9713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2329   -0.7930    0.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9578   -1.5734    1.1637 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