Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID012208

Phytochemical name: (5Z)-Oct-5-EN-1-YL acetate

Synonymous chemical names:
(z)-5-octenyl acetate

External chemical identifiers:
CID:CID_5352838, ZINC:ZINC000014616890, FDASRS:Y3L7K2K8JQ, SureChEMBL:SCHEMBL8138710

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Chemical structure information

SMILES:
CC/C=C\CCCCOC(=O)C

InChI:
InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h4-5H,3,6-9H2,1-2H3/b5-4-

InChIKey:
NBYQSRDPBAVRDT-PLNGDYQASA-N

DeepSMILES:
CC/C=C\CCCCOC=O)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: 1.689

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Chemical structure download