Summary

IMPPAT Phytochemical identifier: IMPHY016337

Phytochemical name: 2,6-Dimethylbicyclo[3.2.1]octane

Synonymous chemical names:
2,6-dimethylbicyclo[3,2,1]octane

External chemical identifiers:
CID:557178

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Chemical structure information

SMILES:
CC1CCC2CC1CC2C

InChI:
InChI=1S/C10H18/c1-7-3-4-9-6-10(7)5-8(9)2/h7-10H,3-6H2,1-2H3

InChIKey:
DRLUAQMFPMRPMU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6CC5C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC(C1)C2

Scaffold Graph/Node level:
C1CC2CCC(C1)C2

Scaffold Graph level:
C1CC2CCC(C1)C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Polycyclic hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Rotundane sesquiterpenoids

NP-Likeness score: 1.601

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Chemical structure download