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
   -3.4504    0.2803   -0.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6611   -0.7588    0.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3115   -0.7453   -0.1040 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4431    0.3077    0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8986    1.3716    0.5627 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9956    0.2465   -0.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7947   -0.0258    0.9416 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2183   -0.1618    2.0298 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2321   -0.1251    0.8526 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8389    0.0191   -0.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3978   -0.0028   -1.6110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0126    1.2634   -0.3914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5036    0.2116   -0.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0638   -1.7729   -0.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8493   -0.6943    1.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3260    1.2314   -0.7239 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2231   -0.5026   -1.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7924   -0.3195    1.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9058   -0.0409   -0.4409 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2648    0.2181   -1.2123 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