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
   -3.2372    0.2807   -0.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7261   -0.1378    0.8745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5139   -0.8271    0.8433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3273   -0.3746    0.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2939    0.7666   -0.1729 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8900   -1.2287    0.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0706   -0.5644   -0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5509   -1.0464   -1.2689 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7118    0.6156    0.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7574    1.1564   -0.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6949    1.3171   -0.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0504   -0.3836   -0.8495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.2749   -1.2611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6890    0.7759    1.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4991   -0.7953    1.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0861   -1.4363    1.4505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6683   -2.1515   -0.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    1.0399    1.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2621    2.0131    0.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1702    0.7056   -1.1337 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