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
   -3.4855    0.0867   -0.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6089   -1.0568    0.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4167   -0.5341    0.7520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5281    0.2422    0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8200    0.4847   -1.1577 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7280    0.8402    0.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8936   -0.0241    0.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8928   -1.1963    0.8160 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0537    0.4933   -0.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0904   -0.3038   -0.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6291   -0.0065   -1.4547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4479    0.1317    0.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9487    1.0416   -0.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2587   -1.6909   -0.7226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1174   -1.6986    0.8746 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6699    1.0668    1.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8393    1.8525    0.1007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787    1.4998   -0.7525 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0719   -1.3014   -0.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9426    0.0730   -1.0673 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