Summary

IMPPAT Phytochemical identifier: IMPHY001557

Phytochemical name: Cyclododecanol

Synonymous chemical names:
cyclododecanol

External chemical identifiers:
CID:15595, ChEMBL:CHEMBL1872732, ZINC:ZINC000003860295, FDASRS:0Z645Y4JTS, SureChEMBL:SCHEMBL50090, MolPort-000-150-454

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Chemical structure information

SMILES:
OC1CCCCCCCCCCC1

InChI:
InChI=1S/C12H24O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12-13H,1-11H2

InChIKey:
SFVWPXMPRCIVOK-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCCCCC%12

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCCCCCCCC1

Scaffold Graph/Node level:
C1CCCCCCCCCCC1

Scaffold Graph level:
C1CCCCCCCCCCC1

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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: 0.404

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Chemical structure download