CAS 70222-88-7 | (R)-1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTAN-6-ONE | CAS Number 70222-88-7

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70222-88-7 | (R)-1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTAN-6-ONE

CAS No: 70222-88-7 Catalog No: AG006B87 MDL No:

Product Description

Catalog Number:

AG006B87

Chemical Name:

(R)-1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTAN-6-ONE

CAS Number:

70222-88-7

Molecular Formula:

C10H16O2

Molecular Weight:

168.2328

IUPAC Name:

1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-one

InChI:

InChI=1S/C10H16O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7H,4-6H2,1-3H3

InChI Key:

CCBAAZXPXFYPBE-UHFFFAOYSA-N

SMILES:

O=C1CC2CC[C@@]1(C)OC2(C)C

EC Number:

274-451-9

Properties

Complexity:

232

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.236g/mol

Monoisotopic Mass:

168.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

Literature

Title	Journal
Microwave-assisted preparation of cyclic ketals from a cineole ketone as potential cosmetic ingredients: solvent-free synthesis, odour evaluation, in vitro cytotoxicity and antimicrobial assays.	International journal of pharmaceutics 20020101