Structure database (LMSD)

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LM IDLMFA07010052
Common NameMyristyl behenate
Systematic Nametetradecanyl docosanoate
SynonymsWE(14:0/22:0); tetradecyl docosanoate
Exact Mass
536.5532 (neutral)    Calculate m/z:
FormulaC36H72O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
AbbrevWE 36:0
PubChem CID4638357
InChIKeyAVKVDDQTHIQFSC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36(37)38-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h3-35H2,1-2H3
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SMILES
O=C(CCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms38Rings0Aromatic Rings0Rotatable Bonds34
 van der Waals
Molecular Volume
646.30Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP13.34Molar
Refractivity
170.54