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
    2.3301    0.1488    0.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8505    0.1569    0.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1699   -0.4075   -0.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2790   -0.4240   -0.7319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8345   -0.9862   -1.7076 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1486    0.1811    0.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7014   -0.8992    0.5124 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7214    0.8593    1.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6677    0.4868   -0.6882 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2744    0.6202    1.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7410   -0.8739   -1.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3168   -0.4611    1.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7371    1.1678    0.6566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1404    0.4310   -0.1378 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