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
    2.3406    0.2742   -0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8807    0.2628    0.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0838   -0.6354   -0.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375   -0.6655   -0.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0340   -1.5529   -0.8246 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0758    0.2937    0.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5325    1.0395   -0.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9303    0.4849    0.7467 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6554   -0.6961   -0.5785 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4296    1.0253    0.7296 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5533   -1.3686   -1.1161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5767    1.0931   -0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4594    0.7009    1.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9229   -0.2557    1.0930 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