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
   -2.0153    0.4903    0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2487   -0.7089    0.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0404   -0.8167    0.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7903    0.2329   -0.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2481    1.2935   -0.8966 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2447    0.0706   -0.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6063    1.4134    0.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0671    0.4302    0.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9814    0.6045   -1.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7923   -1.4885    0.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5598   -1.7152    0.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4338    0.0703   -1.8545 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7551    0.9681   -0.3019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6388   -0.8445   -0.2865 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