Summary

IMPPAT Phytochemical identifier: IMPHY002741

Phytochemical name: 1,1-Diethoxyoctane

Synonymous chemical names:
1,1-diethoxyoctane

External chemical identifiers:
CID:101364, ZINC:ZINC000001600490, FDASRS:T6T180YN5R, SureChEMBL:SCHEMBL3506995

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Chemical structure information

SMILES:
CCCCCCCC(OCC)OCC

InChI:
InChI=1S/C12H26O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h12H,4-11H2,1-3H3

InChIKey:
BRKIPAWFUDCCOO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCOCC)))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: 0.34

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Chemical structure download