Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018243

Phytochemical name: 2-Methylbicyclo[3.2.1]octane

Synonymous chemical names:
2-Methylbicyclo[3.2.1]octane

External chemical identifiers:
CID:CID_549126

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Chemical structure information

SMILES:
CC1CCC2CC1CC2

InChI:
InChI=1S/C9H16/c1-7-2-3-8-4-5-9(7)6-8/h7-9H,2-6H2,1H3

InChIKey:
XISUNXMPFFHVNR-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6CC5

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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-Likeness score: 1.496

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Chemical structure download