Structure Database (LMSD)

Common Name
6-[3]-ladderane-1-hexanol
Systematic Name
6-[3]-ladderane-1-hexanol
Synonyms
LM ID
LMFA05000065
Formula
C18H30O
Exact Mass
Calculate m/z
262.229665
Sum Composition
FOH 18:4
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
OPEALXSBJSNYAZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H30O/c19-10-4-2-1-3-5-12-6-7-15-16(11-12)18-14-9-8-13(14)17(15)18/h12-19H,1-11H2
SMILES (Click to copy)
C1C2C3C4CCC4C3C2CC(CCCCCCO)C1

References

Other Databases

CHEBI ID
137126
PubChem CID
10244470

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 4
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 279.31
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.53
Molar Refractivity 78.18

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Created at
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Updated at
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