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
    2.4563   -0.2576    0.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1839    0.4951    0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0509   -0.1680    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1955    0.5666   -0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1655    1.8128   -0.1469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4756   -0.1860   -0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5083   -0.9805   -0.7034 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3145    0.4424    0.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4979   -0.8379    1.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2044    1.5628    0.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0615   -1.2384    0.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2847    0.4237   -0.5849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7698   -0.5291    0.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3866   -1.1060   -0.7542 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