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
   -3.2642    0.3433    0.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5514   -0.7397    0.9845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2396   -0.9552    0.5275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2341   -0.0087    0.4717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5024    1.1514    0.8539 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1392   -0.2882   -0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4952    0.6655   -1.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6373    1.5121   -1.4319 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8165    0.5931   -1.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6914   -0.3046   -1.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9741    1.3675    0.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3399    0.2412    0.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1682    0.1783   -0.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6727   -0.5817    2.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1166   -1.6943    0.7429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125   -0.0401    0.8567 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3284   -1.3416   -0.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0594    1.3119   -2.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4064   -0.9942   -0.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6769   -0.4160   -1.6885 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