Summary

IMPPAT Phytochemical identifier: IMPHY016752

Phytochemical name: 1-Methoxyoctane

Synonymous chemical names:
methyl octyl ether

External chemical identifiers:
CID:70247, ZINC:ZINC000001845535, SureChEMBL:SCHEMBL92148

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Chemical structure information

SMILES:
CCCCCCCCOC

InChI:
InChI=1S/C9H20O/c1-3-4-5-6-7-8-9-10-2/h3-9H2,1-2H3

InChIKey:
RIAWWRJHTAZJSU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCOC

Functional groups:
COC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP Classifier Biosynthetic pathway: Fatty acids

NP-Likeness score: 0.081

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Chemical structure download