Summary

IMPPAT Phytochemical identifier: IMPHY004692

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

Synonymous chemical names:
1,1-diethoxy-2-methylpropane

External chemical identifiers:
CID:519415, ZINC:ZINC000002522802, SureChEMBL:SCHEMBL4094836, MolPort-006-113-615

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Chemical structure information

SMILES:
CCOC(C(C)C)OCC

InChI:
InChI=1S/C8H18O2/c1-5-9-8(7(3)4)10-6-2/h7-8H,5-6H2,1-4H3

InChIKey:
KZDFOVZPOBSHDH-UHFFFAOYSA-N

DeepSMILES:
CCOCCC)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 Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.082

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Chemical structure download