Structure database (LMSD)

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LM IDLMFA07010085
Common Name11-methyl-tridecanyl 2,6,10,14-tetramethyl-pentadecanoate
Systematic Name11-methyl-tridecanyl 2,6,10,14-tetramethyl-pentadecanoate
SynonymsWE(13:0(11Me)/15:0(2Me,6Me,10Me,14Me)); 11-methyl-tridecyl 2,6,10,14-
tetramethyl-pentadecanoate
Exact Mass
494.5063 (neutral)    Calculate m/z:
FormulaC33H66O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
Alternative ClassesBranched fatty acids[FA0102]
AbbrevWE 33:0
PubChem CID56935918
InChIKeyKYZIFOCLIUPRDX-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C33H66O2/c1-8-29(4)21-15-13-11-9-10-12-14-16-27-35-33(34)32(7)26-19-25-31(6)24-18-23-30(5)22-17-20-28(2)3/h28-32H,8-27H2,1-7H3
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SMILES
O=C(C(C)CCCC(C)CCCC(C)CCCC(C)C)OCCCCCCCCCCC(C)CC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms35Rings0Aromatic Rings0Rotatable Bonds26
 van der Waals
Molecular Volume
594.40Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP11.45Molar
Refractivity
156.34