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
   -2.2654    0.0778   -0.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8035    0.1237   -0.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950   -0.3466    0.6077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3510   -0.3312    0.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9794   -0.7815    1.5806 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0670    0.2260   -0.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6674   -0.0568    0.6714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6112   -0.7962   -0.9406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7386    0.9865   -0.8101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2980    0.5323   -1.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6011   -0.7638    1.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9929   -0.4912   -1.3874 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5902    1.1835   -0.8532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0997    0.4375   -0.2449 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