Summary

IMPPAT Phytochemical identifier: IMPHY015592

Phytochemical name: Cyclooctanol

Synonymous chemical names:
cyclooctanol

External chemical identifiers:
CID:12766, ChEMBL:CHEMBL457729, ZINC:ZINC000003860308, SureChEMBL:SCHEMBL40903, MolPort-003-929-460

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Chemical structure information

SMILES:
OC1CCCCCCC1

InChI:
InChI=1S/C8H16O/c9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2

InChIKey:
FHADSMKORVFYOS-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCC8

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCCCC1

Scaffold Graph/Node level:
C1CCCCCCC1

Scaffold Graph level:
C1CCCCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: 0.584

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Chemical structure download