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
   -4.0303    0.1417   -0.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7399   -0.0380   -0.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6759    0.0841    0.0826 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3425   -0.0236   -0.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997   -0.2383   -1.4922 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7762    0.0982    0.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0540   -0.0701   -0.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0803   -0.2840   -1.3213 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2894    0.0164    0.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4306   -0.1292    0.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8673   -0.2752   -0.6232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8620   -0.2936    0.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1378    1.2526    0.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7096   -1.0981   -1.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6604    0.6741   -1.6877 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7381    1.0575    1.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7016   -0.6971    1.4567 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2719    0.1974    1.7522 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4360   -0.3093   -0.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3473   -0.0656    0.6261 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