Summary

IMPPAT Phytochemical identifier: IMPHY009845

Phytochemical name: 1-Methoxyhexane

Synonymous chemical names:
methyl hexyl ether

External chemical identifiers:
CID:78484, ZINC:ZINC000002560611, FDASRS:R99K6ANQ7T, SureChEMBL:SCHEMBL57897, MolPort-000-557-716

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Chemical structure information

SMILES:
CCCCCCOC

InChI:
InChI=1S/C7H16O/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3

InChIKey:
ICBJCVRQDSQPGI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCOC

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: 0.101

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Chemical structure download