Structure Database (LMSD)

Common Name
alpha-Citronellol
Systematic Name
3,7-dimethyloct-7-en-1-ol
Synonyms
LM ID
LMFA05000637
Formula
C10H20O
Exact Mass
Calculate m/z
156.151415
Sum Composition
FOH 10:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

String Representations

InChiKey (Click to copy)
JGQFVRIQXUFPAH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h10-11H,1,4-8H2,2-3H3
SMILES (Click to copy)
CC(CCCC(C)CCO)=C

Other Databases

HMDB ID
HMDB0037171
PubChem CID
543323

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 187.71
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.04
Molar Refractivity 50.02

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Updated at
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