Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018215

Phytochemical name: Dipentyl ether

Synonymous chemical names:
Dipentyl ether

External chemical identifiers:
CID:CID_12743, ZINC:ZINC000001693640, FDASRS:4G19C1NH3E, SureChEMBL:SCHEMBL8773, Molport-001-783-776

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Chemical structure information

SMILES:
CCCCCOCCCCC

InChI:
InChI=1S/C10H22O/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3

InChIKey:
AOPDRZXCEAKHHW-UHFFFAOYSA-N

DeepSMILES:
CCCCCOCCCCC

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 Classifier Superclass: Fatty acyls

NP-Likeness score: -0.127

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Chemical structure download