Summary

IMPPAT Phytochemical identifier: IMPHY015638

Phytochemical name: 3-Octen-1-ol, acetate, (E)-

Synonymous chemical names:
(e)-3-octenyl acetate

External chemical identifiers:
CID:5363205, SureChEMBL:SCHEMBL3083305

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Chemical structure information

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

InChI:
InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h6-7H,3-5,8-9H2,1-2H3/b7-6+

InChIKey:
PHXNWSHRRVPWLO-VOTSOKGWSA-N

DeepSMILES:
CCCC/C=C/CCOC=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: 1.522

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Chemical structure download