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
    2.4243    0.1155    0.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    0.2192   -0.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0163   -0.0466    0.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1823    0.0577   -0.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0618    0.4151   -1.7206 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5348   -0.2459    0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0297   -0.7806    0.3938 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0850    1.0044    0.4507 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2474    0.1121    1.7399 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3111    0.5268   -1.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0713   -0.3537    1.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5189   -1.3301    0.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2980   -0.0771   -0.7538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6683    0.3832    0.9134 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