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
    2.0219    0.5736   -0.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2677   -0.3464    0.7761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0227   -0.5416    0.6183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8201    0.0964   -0.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2856    0.8866   -1.2058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2653   -0.1772   -0.5151 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9498    0.2140   -1.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1077    0.5723    0.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6336    1.6108   -0.0892 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8397   -0.8370    1.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4990   -1.2419    1.3269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4056   -1.2935   -0.5741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6802    0.2630   -1.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8418    0.2209    0.3599 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