Home
(current)
Advanced Search
Contacts
IISR
SpiceCom: A database of phytochemicals in major spices
Search
HEPTANONE
PubChem ID
8051
Chemical Name
HEPTANONE
Molecular Formula
C
7
H
14
O
Canonical SMILES
CCCCCC(=O)C
IUPAC Name
heptan-2-one
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
Molecular Weight
114.188 g/mol
XLogP
2
Rotatable Bond Count
4
Lipinsky's Rule of Five
Yes
Sources
Cardamom, Cinnamon, Clove, Ginger
Download
2D SDF
3D SDF
mol
JPEG