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
   -2.4131   -0.2317   -0.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2286    0.3498    0.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0199   -0.1160   -0.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1730    0.4403    0.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1009    1.3737    1.3776 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4847   -0.1534    0.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1653   -1.1960   -1.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8515    0.4518   -1.2822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2100   -0.3594    0.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3830    1.1618    0.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0664   -0.9230   -0.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356   -1.2024   -0.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8948    0.4480   -0.6523 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2161   -0.0435    1.0301 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