Summary

IMPPAT Phytochemical identifier: IMPHY005806

Phytochemical name: 1,1-Diethoxy-3-methylbutane

Synonymous chemical names:
1,1-diethoxy-3-methylbutane

External chemical identifiers:
CID:19695, ZINC:ZINC000002038359, FDASRS:SD2G66V598, SureChEMBL:SCHEMBL7054372, MolPort-006-115-738

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Chemical structure information

SMILES:
CCOC(CC(C)C)OCC

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

InChIKey:
DDGBOLJFAMEBOE-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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 0.005

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Chemical structure download