SpiceCom: A database of phytochemicals in major spices

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HEXAN-1-AL

PubChem ID
6184
Chemical Name
HEXAN-1-AL
Molecular Formula
C6H12O
Canonical SMILES
CCCCCC=O
IUPAC Name
hexanal
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
Molecular Weight
100.161 g/mol
XLogP
1.8
Rotatable Bond Count
4
Lipinsky's Rule of Five
Yes
Sources
Clove, Ginger
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