Summary

IMPPAT Phytochemical identifier: IMPHY016209

Phytochemical name: 15,15'-Bi-1,4,7,10,13-pentaoxacyclohexadecane

Synonymous chemical names:
15152 -bi-1,4,7,10,13-pentaoxacyclohexadecane

External chemical identifiers:
CID:560684

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Chemical structure information

SMILES:
O1CCOCCOCCOCCOCC(C1)C1COCCOCCOCCOCCOC1

InChI:
InChI=1S/C22H42O10/c1-5-25-9-13-29-17-21(18-30-14-10-26-6-2-23-1)22-19-31-15-11-27-7-3-24-4-8-28-12-16-32-20-22/h21-22H,1-20H2

InChIKey:
URKGBWWJFOENLD-UHFFFAOYSA-N

DeepSMILES:
OCCOCCOCCOCCOCCC%16)CCOCCOCCOCCOCCOC%16

Functional groups:
COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1COCCOCC(C2COCCOCCOCCOCCOC2)COCCOCCO1

Scaffold Graph/Node level:
C1COCCOCC(C2COCCOCCOCCOCCOC2)COCCOCCO1

Scaffold Graph level:
C1CCCCCCCC(C2CCCCCCCCCCCCCCC2)CCCCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP-Likeness score: -0.01

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Chemical structure download