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
    2.2858    0.3183   -0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8110    0.2947    0.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0976   -0.7572   -0.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3421   -0.8257   -0.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9451   -1.8640   -0.5371 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0845    0.3846    0.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6532   -0.7113    0.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5395    0.5681   -1.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7629    0.9982    0.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3437    1.2131    0.4218 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6226   -1.6189   -0.6389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1222    0.0776    0.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5232    0.8253    1.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0991    1.0971   -0.5325 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