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
   -3.4425   -0.1437   -0.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6252    0.8597    0.5592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4147    0.2221    0.9309 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5808   -0.2378   -0.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9024   -0.0864   -1.2591 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6918   -0.9094    0.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7939    0.0488    0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5695    1.2245   -0.3667 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1731   -0.3518    0.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1705    0.4834    0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0648   -1.1829   -0.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5113   -0.1516    0.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3969    0.0454   -1.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3382    1.6699   -0.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1749    1.2674    1.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7076   -1.3243    1.3021 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7933   -1.7845   -0.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3911   -1.3500    0.6139 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1844    0.2065    0.2508 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9765    1.4946   -0.2636 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