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
   -2.4931    0.2109   -0.4195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2168   -0.1048    0.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0358    0.0873   -0.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1840   -0.2306    0.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1154   -0.7154    1.5715 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5370   -0.0458   -0.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8405    1.2466   -0.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4417    0.0332   -1.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2945   -0.4726   -0.0501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2927   -0.5215    1.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002    0.4957   -1.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9205   -0.9938   -0.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2470    0.2090    0.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6113    0.8019   -0.8713 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