Summary

IMPPAT Phytochemical identifier: IMPHY013983

Phytochemical name: 2-Methoxydecalin

Synonymous chemical names:
decahydro-2-methoxynaphthalene

External chemical identifiers:
CID:534246, SureChEMBL:SCHEMBL96511

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Chemical structure information

SMILES:
COC1CCC2C(C1)CCCC2

InChI:
InChI=1S/C11H20O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h9-11H,2-8H2,1H3

InChIKey:
VAZPVBLNVHSTHM-UHFFFAOYSA-N

DeepSMILES:
COCCCCCC6)CCCC6

Functional groups:
COC

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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: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP-Likeness score: 0.898

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Chemical structure download