Structure Database (LMSD)

Common Name
Hexan-3S-ol
Systematic Name
Hexan-3S-ol
Synonyms
  • (3S)-hexan-3-ol
LM ID
LMFA05000463
Formula
C6H14O
Exact Mass
Calculate m/z
102.104465
Sum Composition
FOH 6:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rhodnius prolixus (#13249)
Insecta (#50557)
Metasternal gland volatiles and sexual communication in the triatomine bug, Rhodnius prolixus.,
J Chem Ecol, 2008
Pubmed ID: 18317844

String Representations

InChiKey (Click to copy)
ZOCHHNOQQHDWHG-LURJTMIESA-N
InChi (Click to copy)
InChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3/t6-/m0/s1
SMILES (Click to copy)
CC[C@H](O)CCC

Other Databases

PubChem CID
638098

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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Updated at
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