Summary

IMPPAT Phytochemical identifier: IMPHY017262

Phytochemical name: Cyclohexane, (1-octylnonyl)-

Synonymous chemical names:
(1-octylnonyl)-cyclohexane

External chemical identifiers:
CID:299550, SureChEMBL:SCHEMBL16109513

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Chemical structure information

SMILES:
CCCCCCCCC(C1CCCCC1)CCCCCCCC

InChI:
InChI=1S/C23H46/c1-3-5-7-9-11-14-18-22(23-20-16-13-17-21-23)19-15-12-10-8-6-4-2/h22-23H,3-21H2,1-2H3

InChIKey:
QQUZVPOZCFYGDY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCC6))))))CCCCCCCC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

ClassyFire Subclass: Cycloalkanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.66

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Chemical structure download