Summary

IMPPAT Phytochemical identifier: IMPHY016339

Phytochemical name: 2,6-Dimethyldecalin

Synonymous chemical names:
2,6-naphthalene decahydrodimethyl

External chemical identifiers:
CID:15379, SureChEMBL:SCHEMBL7553320

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Chemical structure information

SMILES:
CC1CCC2C(C1)CCC(C2)C

InChI:
InChI=1S/C12H22/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h9-12H,3-8H2,1-2H3

InChIKey:
XNOHNIPVHGINQP-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6)CCCC6)C

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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: 0.642

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Chemical structure download