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
   -2.4469    0.4698   -0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1659    0.0167   -0.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0588    0.0494    0.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2193   -0.3816   -0.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3046   -0.7932   -1.5971 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4455   -0.3436    0.4165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9834   -0.3766    0.4868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1004    0.9602   -0.7830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1950    1.2448    0.7231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1438   -0.3260   -1.6413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1080    0.4024    1.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1683   -0.5294    1.4759 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1955   -1.0742    0.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8689    0.6813    0.3882 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