Summary

IMPPAT Phytochemical identifier: IMPHY006024

Phytochemical name: 1,1-Diethoxyhexane

Synonymous chemical names:
1,1-diethoxyhexane

External chemical identifiers:
CID:77224, ZINC:ZINC000002504529, SureChEMBL:SCHEMBL3380382, MolPort-001-779-973

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Chemical structure information

SMILES:
CCCCCC(OCC)OCC

InChI:
InChI=1S/C10H22O2/c1-4-7-8-9-10(11-5-2)12-6-3/h10H,4-9H2,1-3H3

InChIKey:
WNHOMUCDFNTSEV-UHFFFAOYSA-N

DeepSMILES:
CCCCCCOCC)))OCC

Functional groups:
COC(C)OC

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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: 0.307

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Chemical structure download