[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane

C22H31BrOSi — CID 15282997

IUPAC[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
SMILESC[C@H](CCCBr)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H31BrOSi/c1-19(12-11-17-23)18-24-25(22(2,3)4,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,19H,11-12,17-18H2,1-4H3/t19-/m1/s1
InChIKeyUCYANKZFXNHYQJ-LJQANCHMSA-N
MW419.48 g/mol
LogP5.37
Rot. Bonds8

About [(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane

[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane (PubChem CID 15282997) has the molecular formula C22H31BrOSi and a molecular weight of 419.48 g/mol. Its IUPAC name is [(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
PubChem CID15282997
Molecular FormulaC22H31BrOSi
Molecular Weight419.48 g/mol
Exact Mass418.13
IUPAC Name[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
SMILESC[C@H](CCCBr)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H31BrOSi/c1-19(12-11-17-23)18-24-25(22(2,3)4,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,19H,11-12,17-18H2,1-4H3/t19-/m1/s1
InChIKeyUCYANKZFXNHYQJ-LJQANCHMSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.37
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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Related Compounds

8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol
CID 73077971
tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
CID 11634122
tert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane
CID 134925581
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
[(3S)-6-bromo-3-(2-bromoethyl)hexoxy]-tert-butyl-diphenylsilane
CID 154420849
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(3S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexan-1-ol
CID 14704794
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
(E,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,6-dimethylhept-2-enoic acid
CID 69284121
4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile
CID 78163046

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane (CID 15282997) is [(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane is C[C@H](CCCBr)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane?
The InChIKey is UCYANKZFXNHYQJ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H31BrOSi/c1-19(12-11-17-23)18-24-25(22(2,3)4,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,19H,11-12,17-18H2,1-4H3/t19-/m1/s1.
What are the key properties of [(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane?
[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane has a molecular weight of 419.48 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 15282997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).