Summary

IMPPAT Phytochemical identifier: IMPHY017283

Phytochemical name: 1,4,7,10,13-Pentaoxacyclopentadecane

Synonymous chemical names:
1,4,7,10,13-pentaoxa-cyclopentadecane, 15-crown-5

External chemical identifiers:
CID:36336, ChEMBL:CHEMBL156289, ChEBI:32401, ZINC:ZINC000003861363, SureChEMBL:SCHEMBL78595, MolPort-001-759-778

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Chemical structure information

SMILES:
O1CCOCCOCCOCCOCC1

InChI:
InChI=1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2

InChIKey:
VFTFKUDGYRBSAL-UHFFFAOYSA-N

DeepSMILES:
OCCOCCOCCOCCOCC%15

Functional groups:
COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1COCCOCCOCCOCCO1

Scaffold Graph/Node level:
C1COCCOCCOCCOCCO1

Scaffold Graph level:
C1CCCCCCCCCCCCCC1

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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: -0.327

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Chemical structure download