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
   -2.2485    0.2102   -0.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8106    0.2191   -0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003   -0.6615   -0.5569 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4368   -0.6768   -0.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1674   -1.5374   -0.8482 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690    0.3728    0.6064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4631   -0.0201   -1.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7047    1.2095   -0.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7988   -0.5716    0.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4122    0.9709    0.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4254   -1.4056   -1.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9211    1.3290    0.0297 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0242    0.1818    0.8808 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3445    0.3796    1.5009 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