Structure database (LMSD)

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LM IDLMFA07040053
Common Name1-methylpropyl-tridecanolide
Systematic Name1-methylpropyl-tridecanolide
Synonyms-
Exact Mass
268.2402 (neutral)    Calculate m/z:
FormulaC17H32O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassLactones [FA0704]
Alternative ClassesBranched fatty acids[FA0102], Carbocyclic fatty acids[FA0114]
AbbrevFA 17:1
PubChem CID56936050
InChIKeyLCSBQXXSNDOFFD-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H32O2/c1-3-15(2)16-13-11-9-7-5-4-6-8-10-12-14-17(18)19-16/h15-16H,3-14H2,1-2H3
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SMILES
C1(OC(C(C)CC)CCCCCCCCCCC1)=O
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StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms19Rings1Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
305.24Topological Polar
Surface Area
28.37Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP5.54Molar
Refractivity
80.63