Summary

IMPPAT Phytochemical identifier: IMPHY015639

Phytochemical name: [(E)-8-methyltetradec-9-enyl] acetate

Synonymous chemical names:
e-8-methyl-9-tetradecen-1-ol acetate

External chemical identifiers:
CID:5363273, SureChEMBL:SCHEMBL20506172

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Chemical structure information

SMILES:
CCCC/C=C/C(CCCCCCCOC(=O)C)C

InChI:
InChI=1S/C17H32O2/c1-4-5-6-10-13-16(2)14-11-8-7-9-12-15-19-17(3)18/h10,13,16H,4-9,11-12,14-15H2,1-3H3/b13-10+

InChIKey:
XAIYESIBSJPKNQ-JLHYYAGUSA-N

DeepSMILES:
CCCC/C=C/CCCCCCCCOC=O)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 alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.634

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Chemical structure download