Structure Database (LMSD)

OH
Common Name
Hexan-2-ol
Systematic Name
Hexan-2-ol
Synonyms
LM ID
LMFA05000467
Formula
C6H14O
Exact Mass
Calculate m/z
102.104465
Sum Composition
FOH 6:0
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)
QNVRIHYSUZMSGM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3
SMILES (Click to copy)
CC(O)CCCC

References

Comments
Pherobase Semiochemicals

Other Databases

HMDB ID
HMDB0061886
CHEBI ID
88370
PubChem CID
12297

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 121.15
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 1.84
Molar Refractivity 31.72

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Created at
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Updated at
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