Structure database (LMSD)

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LM IDLMFA07010449
Common Nameoctyl octanoate
Systematic Nameoctyl octanoate
SynonymsWE(8:0/8:0)
Exact Mass
256.2402 (neutral)    Calculate m/z:
FormulaC16H32O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID61294
HMDB IDHMDB0033166
InChIKeyDJNTZVRUYMHBTD-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H32O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h3-15H2,1-2H3
SMILESO=C(CCCCCCC)OCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
300.30Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP5.54Molar
Refractivity
78.20