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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.
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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