Structure Database (LMSD)

Common Name
6-[5]-ladderane-1-hexanol
Systematic Name
6-[5]-ladderane-1-hexanol
Synonyms
LM ID
LMFA05000063
Formula
C18H28O
Exact Mass
Calculate m/z
260.214015
Sum Composition
FOH 18:5
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)
MFSSFGRNGHJJLI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H28O/c19-8-4-2-1-3-5-10-9-13-14(10)18-16-12-7-6-11(12)15(16)17(13)18/h10-19H,1-9H2
SMILES (Click to copy)
C1C2C3C4C5CC(CCCCCCO)C5C4C3C2C1

Other Databases

CHEBI ID
85028
PubChem CID
11777410

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 5
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 266.95
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.00
Molar Refractivity 75.92

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Created at
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Updated at
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