Structure database (LMSD)

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LM IDLMFA07010596
Common Name2,6-Dimethyl-5-heptenyl octanoate
Systematic Name2,6-Dimethyl-5-heptenyl octanoate
SynonymsWE(7:1(5)(2Me,6Me)/8:0)
Exact Mass
270.2559 (neutral)    Calculate m/z:
FormulaC17H34O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
Alternative ClassesBranched fatty acids[FA0102]
AbbrevWE 17:0
PubChem CID56936005
InChIKeyQLVHYLFZYNWOCF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H34O2/c1-5-6-7-8-9-13-17(18)19-14-16(4)12-10-11-15(2)3/h15-16H,5-14H2,1-4H3
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SMILES
O=C(CCCCCCC)OCC(C)CCCC(C)C
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StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
317.60Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP5.64Molar
Refractivity
82.68