Summary

IMPPAT Phytochemical identifier: IMPHY017023

Phytochemical name: Heptyl ether

Synonymous chemical names:
1,1’-oxybis heptane

External chemical identifiers:
CID:12392, ZINC:ZINC000001627284, SureChEMBL:SCHEMBL93264

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Chemical structure information

SMILES:
CCCCCCCOCCCCCCC

InChI:
InChI=1S/C14H30O/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-14H2,1-2H3

InChIKey:
UJEGHEMJVNQWOJ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCOCCCCCCC

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: -0.022

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Chemical structure download