Summary

IMPPAT Phytochemical identifier: IMPHY016965

Phytochemical name: 1,1-Diethoxynonane

Synonymous chemical names:
1,1-diethoxynonane

External chemical identifiers:
CID:108625, ZINC:ZINC000085493576, SureChEMBL:SCHEMBL3506094

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Chemical structure information

SMILES:
CCCCCCCCC(OCC)OCC

InChI:
InChI=1S/C13H28O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h13H,4-12H2,1-3H3

InChIKey:
RJMSGTVQHHFVLK-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCOCC)))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: 0.317

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Chemical structure download