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
   -2.0566   -0.0389    0.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0614   -1.1262    0.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2068   -0.8572    0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7217    0.4803   -0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0439    1.4727   -0.0685 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1597    0.7628   -0.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0569   -0.4684    0.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1146    0.5381   -0.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8397    0.6837    1.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3998   -2.1615    0.3841 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8786   -1.7105   -0.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7614    0.6003    0.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3144    1.7679   -0.7959 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5302    0.0568   -1.2050 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