Summary

IMPPAT Phytochemical identifier: IMPHY012240

Phytochemical name: Cyclooctanemethanol

Synonymous chemical names:
cyclooctanemethanol

External chemical identifiers:
CID:77196, ZINC:ZINC000001662386, SureChEMBL:SCHEMBL195390, MolPort-006-115-538

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Chemical structure information

SMILES:
OCC1CCCCCCC1

InChI:
InChI=1S/C9H18O/c10-8-9-6-4-2-1-3-5-7-9/h9-10H,1-8H2

InChIKey:
ZHPBLHYKDKSZCQ-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCC8

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 acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.392

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Chemical structure download