Structure Database (LMSD)

HO
Common Name
(R)-Dihydrocitronellol
Systematic Name
3,7-dimethyloctan-1-ol
Synonyms
LM ID
LMFA05000565
Formula
C10H22O
Exact Mass
Calculate m/z
158.167065
Sum Composition
FOH 10:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
PRNCMAKCNVRZFX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3
SMILES (Click to copy)
C(C(C)C)CCC(CCO)C

References

Other Databases

HMDB ID
HMDB0035411
PubChem CID
7792

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 190.35
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.12
Molar Refractivity 50.05

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Created at
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Updated at
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