Monomers

Pent-3-en-2-one

Identifiers

IUPAC name
pent-3-en-2-one
InchI
InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3
InchI Key
LABTWGUMFABVFG-UHFFFAOYSA-N
SMILES
CC=CC(=O)C
Canonical SMILES
CC=CC(=O)C
Isomeric SMILES
CC=CC(=O)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O
Heavy Atom Count
6
Molecular Weight
84.118
Exact Molecular Weight
84.0575
Valence Electrons
34
Radical Electrons
0
tPSA
17.07
MolLogP
1.1515
H Bond Acceptors
1
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

 14 13  0  0  0  0  0  0  0  0999 V2000
   -2.0077    0.2924   -0.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2137   -0.9460   -0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0861   -0.8839    0.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7659    0.3918    0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1879    1.4970   -0.0750 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2658    0.3897    0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9224    0.9760    0.7103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7952    0.8745   -1.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0936   -0.0168   -0.1744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7001   -1.9177   -0.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6350   -1.8073    0.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6265   -0.5498   -0.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6330    1.2595   -0.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5325    0.4408    1.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  3 11  1  0
  6 12  1  0
  6 13  1  0
  6 14  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers