Structure Database (LMSD)

Common Name
oct-1-en-3-ol
Systematic Name
oct-1-en-3-ol
Synonyms
  • 1-Octen-3-ol
  • 1-vinylhexanol
  • 3-hydroxy-1-octene
  • mushroom alcohol
  • octene-1-ol-3
  • vinyl amyl carbinol
  • vinyl hexanol
LM ID
LMFA05000090
Formula
C8H16O
Exact Mass
Calculate m/z
128.120115
Sum Composition
FOH 8:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pleurotus ostreatus (#5322)
Agaricomycetes (#155619)
Volatile Compounds Secreted by the Oyster Mushroom (Pleurotus ostreatus) and Their Antibacterial Activities,
J Agric Food Chem, 1997

String Representations

InChiKey (Click to copy)
VSMOENVRRABVKN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3
SMILES (Click to copy)
C(C(CCCCC)O)=C

Other Databases

Wikipedia
oct-1-en-3-ol
KEGG ID
C14272
HMDB ID
HMDB0031299
CHEBI ID
34118
PubChem CID
18827
Cayman ID
35550

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 153.11
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.40
Molar Refractivity 40.86

Admin

Created at
-
Updated at
-