Structure database (LMSD)

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LM IDLMFA07010046
Common NameLauryl behenate
Systematic Namedodecanyl docosanoate
SynonymsWE(12:0/22:0); dodecyl docosanoate
Exact Mass
508.5219 (neutral)    Calculate m/z:
FormulaC34H68O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
AbbrevWE 34:0
PubChem CID22020494
InChIKeyIFLDFHHUUCVKNJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C34H68O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34(35)36-33-31-29-27-25-14-12-10-8-6-4-2/h3-33H2,1-2H3
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SMILES
O=C(CCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms36Rings0Aromatic Rings0Rotatable Bonds32
 van der Waals
Molecular Volume
611.70Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP12.56Molar
Refractivity
161.31