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
   -2.5010    0.0387   -0.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586   -0.5599   -0.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0686    0.1428   -0.3633 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2585   -0.3908   -0.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3324   -1.5549    0.3679 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4884    0.4005   -0.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2850   -0.7248   -0.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7993    0.7297    0.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4406    0.5990   -1.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1681   -1.5552    0.2635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1429    1.1478   -0.7646 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2391    1.4169   -0.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1444   -0.1462   -1.0847 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1014    0.4566    0.5869 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