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
    2.4438   -0.3046    0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2150    0.4405   -0.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414   -0.1167    0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2129    0.5813   -0.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172    1.7322   -0.7762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4733   -0.1343    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2533   -0.1618   -0.6106 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2105   -1.3940    0.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8054    0.0724    1.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    1.4189   -0.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0240   -1.1041    0.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6965   -0.7744   -0.8666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3081   -0.8133    0.8852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3229    0.5580    0.1864 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