Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01140004
Common Name8-[5]-ladderane-octanoic acid
Systematic Name8-[5]-ladderane-octanoic acid
Synonyms-
Exact Mass
302.2246 (neutral)    Calculate m/z:
FormulaC20H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
PubChem CID9972184
InChIKeyZKKJRZDMLYQUNK-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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(1
8)19(14)20/h11-14,16-20H,1-10H2,(H,21,22)
SMILESC1C2C3C4C5CC(CCCCCCCC(=O)O)C5C4C3C2C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings5Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
307.70Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.59Molar
Refractivity
85.22