Summary

IMPPAT Phytochemical identifier: IMPHY006937

Phytochemical name: 1-Ethoxypentane

Synonymous chemical names:
1-ethoxy-pentane

External chemical identifiers:
CID:87370, ZINC:ZINC000001555811, SureChEMBL:SCHEMBL127880

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Chemical structure information

SMILES:
CCCCCOCC

InChI:
InChI=1S/C7H16O/c1-3-5-6-7-8-4-2/h3-7H2,1-2H3

InChIKey:
VDMXPMYSWFDBJB-UHFFFAOYSA-N

DeepSMILES:
CCCCCOCC

Functional groups:
COC

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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: -0.425

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Chemical structure download