Summary

IMPPAT Phytochemical identifier: IMPHY012328

Phytochemical name: 1,1,6-Trimethyl-1,2-dihydronaphthalene

Synonymous chemical names:
1,1,6-trimethyl-1,2-dihydronaphthalene, 1,2-dihydro-1,1,6-trimethyl naphthalene, 1,2-dihydro-1,1,6-trimethyl-naphthalene, 1,2-dihydro-1,1,6-trimethylnaphthalene, 1,2-dihydro-1,1,6-trimethylnaphthalene (dehydro-ar-ionene), dehydro-ar-ionene

External chemical identifiers:
CID:121677, ChEBI:89773, ZINC:ZINC000071254667, FDASRS:01HD1KNX99, SureChEMBL:SCHEMBL2976550

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Chemical structure information

SMILES:
Cc1ccc2c(c1)C=CCC2(C)C

InChI:
InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3

InChIKey:
RTUMCNDCAVLXEP-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6)C=CCC6C)C

Functional groups:
cC=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2ccccc2CC1

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-Likeness score: 1.471

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Chemical structure download