[(1R,6R,7S)-7-bromo-1-bicyclo[4.1.0]heptanyl]oxy-tert-butyl-dimethylsilane

C13H25BrOSi — CID 10542607

IUPAC[(1R,6R,7S)-7-bromo-1-bicyclo[4.1.0]heptanyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@]12CCCC[C@H]1[C@@H]2Br
InChIInChI=1S/C13H25BrOSi/c1-12(2,3)16(4,5)15-13-9-7-6-8-10(13)11(13)14/h10-11H,6-9H2,1-5H3/t10-,11-,13+/m0/s1
InChIKeyCIYBIAWMAKDBDE-GMXVVIOVSA-N
MW305.33 g/mol
LogP4.71
Rot. Bonds2

About [(1R,6R,7S)-7-bromo-1-bicyclo[4.1.0]heptanyl]oxy-tert-butyl-dimethylsilane

[(1R,6R,7S)-7-bromo-1-bicyclo[4.1.0]heptanyl]oxy-tert-butyl-dimethylsilane (PubChem CID 10542607) has the molecular formula C13H25BrOSi and a molecular weight of 305.33 g/mol. Its IUPAC name is [(1R,6R,7S)-7-bromo-1-bicyclo[4.1.0]heptanyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,6R,7S)-7-bromo-1-bicyclo[4.1.0]heptanyl]oxy-tert-butyl-dimethylsilane
PubChem CID10542607
Molecular FormulaC13H25BrOSi
Molecular Weight305.33 g/mol
Exact Mass304.09
IUPAC Name[(1R,6R,7S)-7-bromo-1-bicyclo[4.1.0]heptanyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@]12CCCC[C@H]1[C@@H]2Br
InChIInChI=1S/C13H25BrOSi/c1-12(2,3)16(4,5)15-13-9-7-6-8-10(13)11(13)14/h10-11H,6-9H2,1-5H3/t10-,11-,13+/m0/s1
InChIKeyCIYBIAWMAKDBDE-GMXVVIOVSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,6R,7S)-7-bromo-1-bicyclo[4.1.0]heptanyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,6R,7S)-7-bromo-1-bicyclo[4.1.0]heptanyl]oxy-tert-butyl-dimethylsilane (CID 10542607) is [(1R,6R,7S)-7-bromo-1-bicyclo[4.1.0]heptanyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,6R,7S)-7-bromo-1-bicyclo[4.1.0]heptanyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,6R,7S)-7-bromo-1-bicyclo[4.1.0]heptanyl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@]12CCCC[C@H]1[C@@H]2Br.
What is the InChIKey of [(1R,6R,7S)-7-bromo-1-bicyclo[4.1.0]heptanyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is CIYBIAWMAKDBDE-GMXVVIOVSA-N. The full InChI is InChI=1S/C13H25BrOSi/c1-12(2,3)16(4,5)15-13-9-7-6-8-10(13)11(13)14/h10-11H,6-9H2,1-5H3/t10-,11-,13+/m0/s1.
What are the key properties of [(1R,6R,7S)-7-bromo-1-bicyclo[4.1.0]heptanyl]oxy-tert-butyl-dimethylsilane?
[(1R,6R,7S)-7-bromo-1-bicyclo[4.1.0]heptanyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 305.33 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6R,7S)-7-bromo-1-bicyclo[4.1.0]heptanyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10542607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).