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
    2.9589    1.4448    0.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4824    0.1204   -0.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1647   -0.0628    0.2108 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3391   -1.0957   -0.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7351   -2.0271   -0.8194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0275   -1.1290    0.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0463   -1.2527   -0.5997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1830   -2.3891   -1.1436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8782   -0.1753   -1.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8273    1.0635   -0.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0082    2.2102   -0.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9056    1.3414    0.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2233    1.8669    1.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5168    0.1905   -1.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1791   -0.6680    0.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2676   -0.2446    1.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0507   -1.9973    1.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6064   -0.3668   -1.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4784    1.8364   -0.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1478    1.3343    0.2109 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