Structure database (LMSD)

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LM IDLMFA07010602
Common Name7-Methyloctyl octanoate
Systematic Name7-Methyloctyl octanoate
SynonymsWE(8:0(7Me)/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 CID49854244
InChIKeyLSIDHXSWCFFFGE-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H34O2/c1-4-5-6-7-11-14-17(18)19-15-12-9-8-10-13-16(2)3/h16H,4-15H2,1-3H3
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SMILES
O=C(CCCCCCC)OCCCCCCC(C)C
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StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
317.60Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP5.78Molar
Refractivity
82.75