Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID011755

Phytochemical name: 1-Octenyl acetate

Synonymous chemical names:
1-octenyl acetate, 1- octenyl acetate

External chemical identifiers:
CID:CID_5352540, SureChEMBL:SCHEMBL2171343

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Chemical structure information

SMILES:
CCCCCC/C=C/OC(=O)C

InChI:
InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h8-9H,3-7H2,1-2H3/b9-8+

InChIKey:
BQZSFXARLMHSGX-CMDGGOBGSA-N

DeepSMILES:
CCCCCC/C=C/OC=O)C

Functional groups:
C/C=C/OC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 2.16

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Chemical structure download