(1R,2R,5R,6R)-6-bromo-9-oxabicyclo[3.3.1]nonan-2-ol

C8H13BrO2 — CID 14492178

IUPAC(1R,2R,5R,6R)-6-bromo-9-oxabicyclo[3.3.1]nonan-2-ol
SMILESO[C@@H]1CC[C@H]2O[C@@H]1CC[C@H]2Br
InChIInChI=1S/C8H13BrO2/c9-5-1-3-8-6(10)2-4-7(5)11-8/h5-8,10H,1-4H2/t5-,6-,7-,8-/m1/s1
InChIKeyAGMJCXXRTWPMOE-WCTZXXKLSA-N
MW221.09 g/mol
LogP1.45
Rot. Bonds

About (1R,2R,5R,6R)-6-bromo-9-oxabicyclo[3.3.1]nonan-2-ol

(1R,2R,5R,6R)-6-bromo-9-oxabicyclo[3.3.1]nonan-2-ol (PubChem CID 14492178) has the molecular formula C8H13BrO2 and a molecular weight of 221.09 g/mol. Its IUPAC name is (1R,2R,5R,6R)-6-bromo-9-oxabicyclo[3.3.1]nonan-2-ol.

Molecular Properties

Compound Name(1R,2R,5R,6R)-6-bromo-9-oxabicyclo[3.3.1]nonan-2-ol
PubChem CID14492178
Molecular FormulaC8H13BrO2
Molecular Weight221.09 g/mol
Exact Mass220.01
IUPAC Name(1R,2R,5R,6R)-6-bromo-9-oxabicyclo[3.3.1]nonan-2-ol
SMILESO[C@@H]1CC[C@H]2O[C@@H]1CC[C@H]2Br
InChIInChI=1S/C8H13BrO2/c9-5-1-3-8-6(10)2-4-7(5)11-8/h5-8,10H,1-4H2/t5-,6-,7-,8-/m1/s1
InChIKeyAGMJCXXRTWPMOE-WCTZXXKLSA-N
XLogP1.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (1R,2R,5R,6R)-6-bromo-9-oxabicyclo[3.3.1]nonan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R,5R,6R)-9-oxabicyclo[4.2.1]nonane-2,5-diol
CID 93481856
(1R,4R,5R,8R)-4,5-dibromo-9-oxabicyclo[6.1.0]nonane
CID 98553985
(1S,2R)-2-bromo-9-oxabicyclo[3.3.1]nonane
CID 130763635
2-bromo-9-oxabicyclo[4.2.1]nonane
CID 580511
[(1R,2R,5S,6S)-5-bromo-9-oxabicyclo[4.2.1]nonan-2-yl] nitrate
CID 46888469
7-oxabicyclo[2.2.1]heptane-2,3-diol
CID 130146529
3-methyl-9-oxabicyclo[3.3.1]nonane-2,6-diol
CID 57374370
(1S,4S)-5-oxabicyclo[2.1.0]pentane
CID 98125749
(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 7098824
5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 3319750
sodium;(1S,3S,4S)-4-bromo-3-hydroxy-N,N-dimethylcyclohexane-1-carboxamide;(1S,3S,6R)-N,N-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide;hydroxide
CID 162157967
(1S,2S,4R,5S,7R,9S,11R)-4-bromo-8,14,15-trioxatetracyclo[9.2.1.12,5.07,9]pentadecane
CID 101239536

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R,6R)-6-bromo-9-oxabicyclo[3.3.1]nonan-2-ol?
The IUPAC name of (1R,2R,5R,6R)-6-bromo-9-oxabicyclo[3.3.1]nonan-2-ol (CID 14492178) is (1R,2R,5R,6R)-6-bromo-9-oxabicyclo[3.3.1]nonan-2-ol.
What is the SMILES notation for (1R,2R,5R,6R)-6-bromo-9-oxabicyclo[3.3.1]nonan-2-ol?
The canonical SMILES for (1R,2R,5R,6R)-6-bromo-9-oxabicyclo[3.3.1]nonan-2-ol is O[C@@H]1CC[C@H]2O[C@@H]1CC[C@H]2Br.
What is the InChIKey of (1R,2R,5R,6R)-6-bromo-9-oxabicyclo[3.3.1]nonan-2-ol?
The InChIKey is AGMJCXXRTWPMOE-WCTZXXKLSA-N. The full InChI is InChI=1S/C8H13BrO2/c9-5-1-3-8-6(10)2-4-7(5)11-8/h5-8,10H,1-4H2/t5-,6-,7-,8-/m1/s1.
What are the key properties of (1R,2R,5R,6R)-6-bromo-9-oxabicyclo[3.3.1]nonan-2-ol?
(1R,2R,5R,6R)-6-bromo-9-oxabicyclo[3.3.1]nonan-2-ol has a molecular weight of 221.09 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R,6R)-6-bromo-9-oxabicyclo[3.3.1]nonan-2-ol is sourced from PubChem (CID 14492178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).