Structure Database (LMSD)

Common Name
xi-7-Octen-2-ol
Systematic Name
oct-7-en-2-ol
Synonyms
LM ID
LMFA05000704
Formula
C8H16O
Exact Mass
Calculate m/z
128.120115
Sum Composition
FOH 8:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

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

String Representations

InChiKey (Click to copy)
HSHUHVOEMVTVRS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3,8-9H,1,4-7H2,2H3
SMILES (Click to copy)
CC(O)CCCCC=C

Other Databases

HMDB ID
HMDB0037181
CHEBI ID
87586
PubChem CID
542172

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

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Created at
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Updated at
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