CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 1255 |
---|
COMPUTED DESCRIPTORS
Molecular Weight | 174.28 g/mol |
---|---|
XLogP3 | 4.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 0 |
Exact Mass | 174.140850574 g/mol |
Monoisotopic Mass | 174.140850574 g/mol |
Topological Polar Surface Area | 0 Ų |
Heavy Atom Count | 13 |
Formal Charge | 0 |
Complexity | 181 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1,1,6-trimethyltetralin is a member of the class of tetralins that is tetralin substituted by methyl groups at positions 1, 1 and 6 respectively. It has a role as a metabolite. It is a member of tetralins and an ortho-fused bicyclic hydrocarbon. It derives from a hydride of a tetralin.