1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

9-methoxy-9-borabicyclo[3.3.1]nonane

2.1.2 InChI

InChI=1S/C9H17BO/c1-11-10-8-4-2-5-9(10)7-3-6-8/h8-9H,2-7H2,1H3

2.1.3 InChI Key

UNGDGQYONLTNJZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

B1(C2CCCC1CCC2)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 38050-71-4

2. B-methoxy-9-bbn

3. B-methoxy-9-bbn Solution

4. 9-methoxy-9-borabicyclo(3.3.1)nonane

5. Einecs 253-758-1

6. 9-borabicyclo[3.3.1]nonane, 9-methoxy-

7. Schembl925547

8. Schembl925548

9. Dtxsid80191465

10. Amy14867

11. Akos015918506

12. Zinc169875943

13. 9-methoxy-9-bora-bicyclo[3.3.1]nonane

14. 9-methoxy-9-borabicyclo[3.3.1]nonane #

15. Ft-0653864

16. B-methoxy-9-bbn Solution, 1.0 M In Hexanes

17. A823994

18. J-519514

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₇BO
Molecular Weight	152.04 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	152.1372453 g/mol
Monoisotopic Mass	152.1372453 g/mol
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	116
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

9-Methoxy-9-Borabicyclo[3.3.1]Nonane