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
    3.3116    0.4779    0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8178   -0.9271   -0.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5289   -0.9655   -0.7675 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4204   -0.3281   -0.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5287    0.3131    0.8373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8860   -0.3889   -0.9158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8642    0.4167   -0.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5695    1.6272    0.0484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1176   -0.0836    0.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9470    0.6935    1.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3396    0.4352    0.4291 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7131    1.0498    0.7411 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3170    0.9413   -0.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8180   -1.4504    0.8312 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5161   -1.4680   -0.8086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414   -1.4192   -1.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7428    0.1153   -1.9160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3776   -1.1084    0.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6917    1.7358    1.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8734    0.3336    1.3891 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