Structure Database (LMSD)

Common Name
8-[5]-ladderane-octanoic acid
Systematic Name
8-[5]-ladderane-octanoic acid
Synonyms
LM ID
LMFA01140004
Formula
C20H30O2
Exact Mass
Calculate m/z
302.22458
Sum Composition
FA 20:5
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
ZKKJRZDMLYQUNK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H30O2/c21-15(22)7-5-3-1-2-4-6-11-10-14-16(11)20-18-13-9-8-12(13)17(18)19(14)20/h11-14,16-20H,1-10H2,(H,21,22)
SMILES (Click to copy)
C1C2C3C4C5CC(CCCCCCCC(=O)O)C5C4C3C2C1

Other Databases

PubChem CID
9972184

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 5
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 307.70
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.59
Molar Refractivity 85.22

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Created at
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Updated at
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