CAS 1516-95-6 | Benzene, 1,3-bis(1,1-dimethylethyl)-2-methoxy- | CAS Number 1516-95-6

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1516-95-6 | Benzene, 1,3-bis(1,1-dimethylethyl)-2-methoxy-

CAS No: 1516-95-6 Catalog No: AG001NGI MDL No:

Product Description

Catalog Number:

AG001NGI

Chemical Name:

Benzene, 1,3-bis(1,1-dimethylethyl)-2-methoxy-

CAS Number:

1516-95-6

Molecular Formula:

C15H24O

Molecular Weight:

220.3505

IUPAC Name:

1,3-ditert-butyl-2-methoxybenzene

InChI:

InChI=1S/C15H24O/c1-14(2,3)11-9-8-10-12(13(11)16-7)15(4,5)6/h8-10H,1-7H3

InChI Key:

OGIJRUWUWSZKAV-UHFFFAOYSA-N

SMILES:

COc1c(cccc1C(C)(C)C)C(C)(C)C

Properties

Complexity:

197

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

220.183g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.356g/mol

Monoisotopic Mass:

220.183g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

9.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.2

Literature

Title	Journal
Synthesis and evaluation of dithiolethiones as novel cyclooxygenase inhibitors.	Bioorganic & medicinal chemistry letters 20090115
Novel phenanthroline ligands and their kinetically locked copper(I) complexes with unexpected photophysical properties.	Inorganic chemistry 20060306
Enantioselective acylation using a second-generation P-aryl-2-phosphabicyclo[3.3.0]octane catalyst.	The Journal of organic chemistry 20041001