[(3R)-1-bromo-3,7-dimethyloct-6-en-3-yl]oxy-tert-butyl-dimethylsilane

C16H33BrOSi — CID 102233872

IUPAC[(3R)-1-bromo-3,7-dimethyloct-6-en-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)=CCC[C@](C)(CCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33BrOSi/c1-14(2)10-9-11-16(6,12-13-17)18-19(7,8)15(3,4)5/h10H,9,11-13H2,1-8H3/t16-/m1/s1
InChIKeyQBXFGGNUZNKNGZ-MRXNPFEDSA-N
MW349.43 g/mol
LogP6.30
Rot. Bonds7

About [(3R)-1-bromo-3,7-dimethyloct-6-en-3-yl]oxy-tert-butyl-dimethylsilane

[(3R)-1-bromo-3,7-dimethyloct-6-en-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 102233872) has the molecular formula C16H33BrOSi and a molecular weight of 349.43 g/mol. Its IUPAC name is [(3R)-1-bromo-3,7-dimethyloct-6-en-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3R)-1-bromo-3,7-dimethyloct-6-en-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID102233872
Molecular FormulaC16H33BrOSi
Molecular Weight349.43 g/mol
Exact Mass348.15
IUPAC Name[(3R)-1-bromo-3,7-dimethyloct-6-en-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)=CCC[C@](C)(CCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33BrOSi/c1-14(2)10-9-11-16(6,12-13-17)18-19(7,8)15(3,4)5/h10H,9,11-13H2,1-8H3/t16-/m1/s1
InChIKeyQBXFGGNUZNKNGZ-MRXNPFEDSA-N
XLogP6.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 56.30
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-bromo-3,7-dimethyloct-6-en-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3R)-1-bromo-3,7-dimethyloct-6-en-3-yl]oxy-tert-butyl-dimethylsilane (CID 102233872) is [(3R)-1-bromo-3,7-dimethyloct-6-en-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3R)-1-bromo-3,7-dimethyloct-6-en-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3R)-1-bromo-3,7-dimethyloct-6-en-3-yl]oxy-tert-butyl-dimethylsilane is CC(C)=CCC[C@](C)(CCBr)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3R)-1-bromo-3,7-dimethyloct-6-en-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is QBXFGGNUZNKNGZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H33BrOSi/c1-14(2)10-9-11-16(6,12-13-17)18-19(7,8)15(3,4)5/h10H,9,11-13H2,1-8H3/t16-/m1/s1.
What are the key properties of [(3R)-1-bromo-3,7-dimethyloct-6-en-3-yl]oxy-tert-butyl-dimethylsilane?
[(3R)-1-bromo-3,7-dimethyloct-6-en-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 349.43 g/mol, XLogP of 6.30, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-bromo-3,7-dimethyloct-6-en-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102233872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).