Summary

IMPPAT Phytochemical identifier: IMPHY016156

Phytochemical name: 1,1-Diethoxy-2-methylbutane

Synonymous chemical names:
1,1-diethoxy-2-methyl-butan

External chemical identifiers:
CID:568501, SureChEMBL:SCHEMBL10839192, MolPort-046-588-209

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Chemical structure information

SMILES:
CCOC(C(CC)C)OCC

InChI:
InChI=1S/C9H20O2/c1-5-8(4)9(10-6-2)11-7-3/h8-9H,5-7H2,1-4H3

InChIKey:
PAPSQZAQCBGYCJ-UHFFFAOYSA-N

DeepSMILES:
CCOCCCC))C))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: 0.161

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Chemical structure download