Structure Database (LMSD)

Common Name
8-[3]-ladderane-1-octanol
Systematic Name
8-[3]-ladderane-1-octanol
Synonyms
LM ID
LMFA05000066
Formula
C20H34O
Exact Mass
Calculate m/z
290.260965
Sum Composition
FOH 20:4
Status
Curated
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)
ZUEUBOPHBYHSPF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H34O/c21-12-6-4-2-1-3-5-7-14-8-9-17-18(13-14)20-16-11-10-15(16)19(17)20/h14-21H,1-13H2
SMILES (Click to copy)
C1CC2C3C4CCC4C3C2CC1CCCCCCCCO

Other Databases

CHEBI ID
193322
PubChem CID
9971493

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 313.91
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.31
Molar Refractivity 87.41

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Created at
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Updated at
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