Summary

IMPPAT Phytochemical identifier: IMPHY016329

Phytochemical name: 2,6-Diisopropylnaphthalene

Synonymous chemical names:
2,6 diisopropylnaphtalene, 2,6-diisopropylnaphthalene

External chemical identifiers:
CID:32241, ChEMBL:CHEMBL3182870, ChEBI:145669, ZINC:ZINC000001655713, FDASRS:1X71YEU9QB, SureChEMBL:SCHEMBL181347, MolPort-002-501-683

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Chemical structure information

SMILES:
CC(c1ccc2c(c1)ccc(c2)C(C)C)C

InChI:
InChI=1S/C16H20/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13/h5-12H,1-4H3

InChIKey:
GWLLTEXUIOFAFE-UHFFFAOYSA-N

DeepSMILES:
CCcccccc6)cccc6)CC)C))))))))))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: Benzenoids

ClassyFire Class: Naphthalenes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: -0.135

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Chemical structure download