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
    4.0117    0.0089   -0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7361    0.7260    0.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6649   -0.0733   -0.0769 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3603    0.3141    0.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1922    1.3771    0.8162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7476   -0.5348   -0.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0695    0.0287    0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1614    1.1013    0.6821 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2655   -0.6779   -0.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4875   -0.2526   -0.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1507    0.1415   -1.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8229   -1.0943    0.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792    0.2966    0.5377 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7524    0.8238    1.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7149    1.7058   -0.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6779   -1.5282    0.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7140   -0.6677   -1.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1728   -1.5862   -0.9231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6130    0.6662    0.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3762   -0.7750   -0.4049 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