Structure Database (LMSD)

Common Name
trans-3-Octen-2-ol
Systematic Name
(3E)-oct-3-en-2-ol
Synonyms
LM ID
LMFA05000702
Formula
C8H16O
Exact Mass
Calculate m/z
128.120115
Sum Composition
FOH 8:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
YJJIVDCKSZMHGZ-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h6-9H,3-5H2,1-2H3/b7-6+
SMILES (Click to copy)
OC(C)/C=C/CCCC

Other Databases

HMDB ID
HMDB0032450
CHEBI ID
168329
PubChem CID
5358336

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
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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