Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018135

Phytochemical name: (1-Methylnonyl)cyclohexane

Synonymous chemical names:
(1-Methylnonyl)cyclohexane

External chemical identifiers:
CID:CID_524432

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Chemical structure information

SMILES:
CCCCCCCCC(C1CCCCC1)C

InChI:
InChI=1S/C16H32/c1-3-4-5-6-7-9-12-15(2)16-13-10-8-11-14-16/h15-16H,3-14H2,1-2H3

InChIKey:
XMDXQLIFVIVRKI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCC6))))))C

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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: 0.71

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Chemical structure download