Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018241

Phytochemical name: Trans-4a-methyl-decahydronaphthalene

Synonymous chemical names:
trans-4a-Methyl-decahydronaphthalene

External chemical identifiers:
CID:CID_137634

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Chemical structure information

SMILES:
CC12CCCCC2CCCC1

InChI:
InChI=1S/C11H20/c1-11-8-4-2-6-10(11)7-3-5-9-11/h10H,2-9H2,1H3

InChIKey:
RAFDCSMAXTUJKJ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6CCCC%10

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2CCCCC2C1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Polycyclic hydrocarbons

NP-Likeness score: 1.333

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Chemical structure download