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
    2.7129    0.9633   -0.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6383   -0.4526    0.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4028   -1.0614   -0.0877 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1937   -0.5986    0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2237    0.4301    1.1088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0688   -1.3146    0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2316   -0.6855    0.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6490   -1.2528    1.7349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9135    0.4873    0.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5168    1.1173   -0.8668 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0293    1.6571    0.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6433    0.9311   -1.4274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7487    1.3181   -0.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4168   -1.0337   -0.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9196   -0.5053    1.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9150   -2.3691    0.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1587   -1.3198   -1.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7519    0.8839    0.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6853    0.7926   -1.4715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0386    2.0127   -1.2008 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