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
   -2.6922    1.1285    0.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7449   -0.0883   -0.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4867   -0.3718   -0.8980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3571   -0.6377   -0.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4128   -0.6357    1.0756 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9083   -0.9228   -0.8669 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0107   -1.1960    0.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0656   -2.3774    0.5332 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9572   -0.1740    0.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8840    1.0384   -0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1352    0.9025    1.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7313    1.4781    0.6933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1365    1.9442   -0.0598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4300    0.0766   -1.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0703   -0.9674    0.2347 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7336   -1.8082   -1.5489 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -0.0897   -1.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7544   -0.4360    1.1362 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1270    1.3863   -0.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6564    1.7504    0.2899 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