CHEBI:87604 - 1,1,6-trimethyltetralin

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ChEBI Name 1,1,6-trimethyltetralin
ChEBI ID CHEBI:87604
Definition A member of the class of tetralins that is tetralin substituted by methyl groups at positions 1, 1 and 6 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H18
Net Charge 0
Average Mass 174.28200
Monoisotopic Mass 174.14085
InChI InChI=1S/C13H18/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h6-7,9H,4-5,8H2,1-3H3
InChIKey LTMQZVLXCLQPCT-UHFFFAOYSA-N
SMILES Cc1ccc2c(CCCC2(C)C)c1
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1,1,6-trimethyltetralin (CHEBI:87604) has parent hydride tetralin (CHEBI:35008)
1,1,6-trimethyltetralin (CHEBI:87604) has role metabolite (CHEBI:25212)
1,1,6-trimethyltetralin (CHEBI:87604) is a ortho-fused bicyclic hydrocarbon (CHEBI:35428)
1,1,6-trimethyltetralin (CHEBI:87604) is a tetralins (CHEBI:36786)
IUPAC Name
1,1,6-trimethyl-1,2,3,4-tetrahydronaphthalene
Registry Numbers Types Sources
1862519 Reaxys Registry Number Reaxys
475-03-6 CAS Registry Number ChemIDplus
475-03-6 CAS Registry Number NIST Chemistry WebBook
Last Modified
20 August 2015