Structure database (LMSD)

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LM IDLMFA07010039
Common NameStearyl laurate
Systematic Nameoctadecanyl dodecanoate
SynonymsWE(18:0/12:0); octadecyl dodecanoate
Exact Mass
452.4593 (neutral)    Calculate m/z:
FormulaC30H60O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
AbbrevWE 30:0
PubChem CID76712
InChIKeyTZXYSEYEGNHPQI-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C30H60O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-32-30(31)28-26-24-22-20-12-10-8-6-4-2/h3-29H2,1-2H3
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SMILES
O=C(CCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms32Rings0Aromatic Rings0Rotatable Bonds28
 van der Waals
Molecular Volume
542.50Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP11.00Molar
Refractivity
142.84