Structure Database (LMSD)

Common Name
Hexan-2-ol
Systematic Name
Hexan-2-ol
Synonyms
LM ID
LMFA05000467
Status
Active
Exact Mass
Calculate m/z
102.104465
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class

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
CHEBI ID
PubChem CID

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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