Structure database (LMSD)

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LM IDLMFA11000009
Common Name5,13,16-trimethyloctacosane
Systematic Name5,13,16-trimethyloctacosane
Synonyms-
Exact Mass
436.5008 (neutral)    Calculate m/z:
FormulaC31H64
CategoryFatty Acyls [FA]
Main ClassHydrocarbons [FA11]
Sub Class-
PubChem CID42607334
InChIKeyFXPWKBBSKOIRTE-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C31H64/c1-6-8-10-11-12-13-14-15-17-21-25-30(4)27-28-31(5)26-22-19-16-18
-20-24-29(3)23-9-7-2/h29-31H,6-28H2,1-5H3
SMILESCCCCC(C)CCCCCCCC(C)CCC(C)CCCCCCCCCCCC
StatusActive
CommentsSubmitted by Henry Boumann, Netherlands
ReferencesPubMed ID: 16306681
Calculated physicochemical properties (?):
 Heavy Atoms31Rings0Aromatic Rings0Rotatable Bonds25
 van der Waals
Molecular Volume
544.86Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP11.91Molar
Refractivity
145.03