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
    3.8482   -0.2748   -0.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3926   -0.4734   -0.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5447   -0.0165    0.5377 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1888   -0.1474    0.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2562   -0.6702   -0.6591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7904    0.2968    1.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1744   -0.0220    0.9101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9006   -0.8637    1.4702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6630    0.6743   -0.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8564    0.4211   -0.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2651   -1.2029    0.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3404   -0.0292   -1.2293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9816    0.5516    0.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1745   -1.5433   -0.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0669    0.0705   -1.4509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6352   -0.2546    2.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7249    1.3903    1.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0592    1.4246   -0.7860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2131    0.9579   -1.6287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5292   -0.2893   -0.3047 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