Structure database (LMSD)

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LM IDLMFA01140006
Common Name8-[3]-ladderane-octanoic acid
Systematic Name8-[3]-ladderane-octanoic acid
Synonyms-
Exact Mass
304.2402 (neutral)    Calculate m/z:
FormulaC20H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
PubChem CID10380342
InChIKeyRIAWBSMXETVQRQ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O2/c21-18(22)7-5-3-1-2-4-6-13-8-9-16-17(12-13)20-15-11-10-14(15)19(16)20/h13-17,19-20H,1-12H2,(H,21,22)
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SMILES
C1CC2C3C4CCC4C3C2CC1CCCCCCCC(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings4Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
320.06Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.12Molar
Refractivity
87.47