Summary

IMPPAT Phytochemical identifier: IMPHY017945

Phytochemical name: Lavandulyl 2-methylbutyrate

Synonymous chemical names:
lavandulyl 2-methylbutyrate

Chemical structure information

SMILES:
CCC(C(=O)OCC(C(=C)C)CCC(=C)C)C

InChI:
InChI=1S/C15H26O2/c1-7-13(6)15(16)17-10-14(12(4)5)9-8-11(2)3/h13-14H,2,4,7-10H2,1,3,5-6H3

InChIKey:
IBKFLDWCDDVSDC-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)OCCC=C)C))CCC=C)C))))))))C

Functional groups:
C=C(C)C, COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP-Likeness score: 1.272

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Chemical structure download