Summary

IMPPAT Phytochemical identifier: IMPHY013819

Phytochemical name: 1,1-Diethoxyheptane

Synonymous chemical names:
heptanal diethylacetal

External chemical identifiers:
CID:69644, ZINC:ZINC000001845823, SureChEMBL:SCHEMBL113618

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Chemical structure information

SMILES:
CCCCCCC(OCC)OCC

InChI:
InChI=1S/C11H24O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h11H,4-10H2,1-3H3

InChIKey:
UGOCNHASEZIJFQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCOCC)))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: 0.366

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Chemical structure download