(1R,2R,5R,6R)-2,6-dibromo-9-selenabicyclo[3.3.1]nonane

C8H12Br2Se — CID 139177147

IUPAC(1R,2R,5R,6R)-2,6-dibromo-9-selenabicyclo[3.3.1]nonane
SMILESBr[C@@H]1CC[C@H]2[Se][C@@H]1CC[C@H]2Br
InChIInChI=1S/C8H12Br2Se/c9-5-1-3-7-6(10)2-4-8(5)11-7/h5-8H,1-4H2/t5-,6-,7-,8-/m1/s1
InChIKeyZFIWOILTHHAJLQ-WCTZXXKLSA-N
MW346.95 g/mol
LogP3.38
Rot. Bonds

About (1R,2R,5R,6R)-2,6-dibromo-9-selenabicyclo[3.3.1]nonane

(1R,2R,5R,6R)-2,6-dibromo-9-selenabicyclo[3.3.1]nonane (PubChem CID 139177147) has the molecular formula C8H12Br2Se and a molecular weight of 346.95 g/mol. Its IUPAC name is (1R,2R,5R,6R)-2,6-dibromo-9-selenabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1R,2R,5R,6R)-2,6-dibromo-9-selenabicyclo[3.3.1]nonane
PubChem CID139177147
Molecular FormulaC8H12Br2Se
Molecular Weight346.95 g/mol
Exact Mass345.85
IUPAC Name(1R,2R,5R,6R)-2,6-dibromo-9-selenabicyclo[3.3.1]nonane
SMILESBr[C@@H]1CC[C@H]2[Se][C@@H]1CC[C@H]2Br
InChIInChI=1S/C8H12Br2Se/c9-5-1-3-7-6(10)2-4-8(5)11-7/h5-8H,1-4H2/t5-,6-,7-,8-/m1/s1
InChIKeyZFIWOILTHHAJLQ-WCTZXXKLSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.95
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,6-dibromo-9-selenabicyclo[3.3.1]nonane
CID 122368091
(1R,2R,5R,6S,10R)-1,2,5,6,9,10-hexabromocyclododecane
CID 177386229
1,2,3,4,5,6,7,8,9,10-decabromocyclododecane
CID 175081059
1,2,5,6,9,10-hexabromocyclooctadecane
CID 101354867
(1S,2S,3S,4S,5S,6S)-1,2,3,4,5,6-hexabromocyclododecane
CID 76964962
(1R,4R,5R,8R)-4,5-dibromo-9-oxabicyclo[6.1.0]nonane
CID 98553985
1,2-dibromocyclodecane
CID 73175476
1,2-dibromocyclododecane
CID 13111000
alumane;1,2,3,4,5,6-hexabromocyclododecane
CID 174675099
1,4,7,10-tetrabromocyclododecane
CID 101410229
1,2,4,6,9,10-hexabromocyclododecane
CID 19981637
(1S,2R,4S)-1-bromo-2,4-dimethylcyclohexane
CID 94275196

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R,6R)-2,6-dibromo-9-selenabicyclo[3.3.1]nonane?
The IUPAC name of (1R,2R,5R,6R)-2,6-dibromo-9-selenabicyclo[3.3.1]nonane (CID 139177147) is (1R,2R,5R,6R)-2,6-dibromo-9-selenabicyclo[3.3.1]nonane.
What is the SMILES notation for (1R,2R,5R,6R)-2,6-dibromo-9-selenabicyclo[3.3.1]nonane?
The canonical SMILES for (1R,2R,5R,6R)-2,6-dibromo-9-selenabicyclo[3.3.1]nonane is Br[C@@H]1CC[C@H]2[Se][C@@H]1CC[C@H]2Br.
What is the InChIKey of (1R,2R,5R,6R)-2,6-dibromo-9-selenabicyclo[3.3.1]nonane?
The InChIKey is ZFIWOILTHHAJLQ-WCTZXXKLSA-N. The full InChI is InChI=1S/C8H12Br2Se/c9-5-1-3-7-6(10)2-4-8(5)11-7/h5-8H,1-4H2/t5-,6-,7-,8-/m1/s1.
What are the key properties of (1R,2R,5R,6R)-2,6-dibromo-9-selenabicyclo[3.3.1]nonane?
(1R,2R,5R,6R)-2,6-dibromo-9-selenabicyclo[3.3.1]nonane has a molecular weight of 346.95 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R,6R)-2,6-dibromo-9-selenabicyclo[3.3.1]nonane is sourced from PubChem (CID 139177147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).