Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017936

Phytochemical name: 2-Methyl-trans-decalin

Synonymous chemical names:
2-Methyl-trans-decalin

External chemical identifiers:
CID:CID_59076990

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Chemical structure information

SMILES:
CC1CC[C@H]2[C@H](C1)CCCC2

InChI:
InChI=1S/C11H20/c1-9-6-7-10-4-2-3-5-11(10)8-9/h9-11H,2-8H2,1H3/t9?,10-,11-/m0/s1

InChIKey:
GREARFRXIFVLGB-DVRYWGNFSA-N

DeepSMILES:
CCCC[C@H][C@H]C6)CCCC6

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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: 0.862

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Chemical structure download