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Molecule
9-Methoxy-9-Borabicyclo[3.3.1]Nonane
CAS: 38050-71-4 · C9H17BO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 38050-71-4
- Molecular Formula
- C9H17BO
- Molecular Mass
- 152.05 g/mol
Identifiers
CAS Registry Number
38050-71-4
SMILES
COB1C2CCCC1CCC2
InChI Key
UNGDGQYONLTNJZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H17BO/c1-11-10-8-4-2-5-9(10)7-3-6-8/h8-9H,2-7H2,1H3
Names and Synonyms
- 9-Methoxy-9-Borabicyclo[3.3.1]Nonane Synonym
- 9-Borabicyclo[3.3.1]nonane, 9-methoxy- Synonym
- 9-Methoxy-9-borabicyclo[3.3.1]nonane Synonym
- B-Methoxy-9-borabicyclo[3.3.1]nonane Synonym
- B-Methoxy-9-borabicyclo[3.3.1]nonane Synonym
- 9-Methoxy-BBN Synonym
- B-Methoxy-9-BBN Synonym
- 9-MeO-9-BBN Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.05 g/mol | CAS Common Chemistry |
| 152.046 g/mol | RDKit | |
| 152.13724556399998 g/mol | RDKit | |
| Canonical SMILES | O(B1C2CCCC1CCC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H17BO/c1-11-10-8-4-2-5-9(10)7-3-6-8/h8-9H,2-7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UNGDGQYONLTNJZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 9-Methoxy-9-borabicyclo[3.3.1]nonane | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.732500000000001 | RDKit |
| 2.7325 | RDKit | |
| Molar Refractivity | 47.96500000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 152.044 g/mol | chempirical lib |
| Boiling Point | 57-58 °C @ 7 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 152.05 g/mol. Edit any field — others recompute live.
