Structure database (LMSD)

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LM IDLMFA07010504
Common Nameoctyl 2-methyl-propionyl
Systematic Nameoctyl 2-methyl-propionyl
SynonymsWE(8:0/3:0(2Me))
Exact Mass
200.1776 (neutral)    Calculate m/z:
FormulaC12H24O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
Alternative ClassesBranched fatty acids[FA0102]
PubChem CID61024
HMDB IDHMDB0034137
InChIKeyPQCYCHFQWMNQRJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h11H,4-10H2,1-3H3
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SMILES
O=C(C(C)C)OCCCCCCCC
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StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms14Rings0Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
231.10Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP3.83Molar
Refractivity
59.66