[(2R)-4-bromo-2-methyl-4-tributylstannylbutoxy]-tert-butyl-diphenylsilane

C33H55BrOSiSn — CID 23727940

IUPAC[(2R)-4-bromo-2-methyl-4-tributylstannylbutoxy]-tert-butyl-diphenylsilane
SMILESCCCC[Sn](CCCC)(CCCC)C(Br)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28BrOSi.3C4H9.Sn/c1-18(15-16-22)17-23-24(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20;3*1-3-4-2;/h5-14,16,18H,15,17H2,1-4H3;3*1,3-4H2,2H3;/t18-;;;;/m1..../s1
InChIKeyVSEQMEPIHVZZAC-HHVPYRKWSA-N
MW694.50 g/mol
LogP9.74
Rot. Bonds17

About [(2R)-4-bromo-2-methyl-4-tributylstannylbutoxy]-tert-butyl-diphenylsilane

[(2R)-4-bromo-2-methyl-4-tributylstannylbutoxy]-tert-butyl-diphenylsilane (PubChem CID 23727940) has the molecular formula C33H55BrOSiSn and a molecular weight of 694.50 g/mol. Its IUPAC name is [(2R)-4-bromo-2-methyl-4-tributylstannylbutoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2R)-4-bromo-2-methyl-4-tributylstannylbutoxy]-tert-butyl-diphenylsilane
PubChem CID23727940
Molecular FormulaC33H55BrOSiSn
Molecular Weight694.50 g/mol
Exact Mass694.22
IUPAC Name[(2R)-4-bromo-2-methyl-4-tributylstannylbutoxy]-tert-butyl-diphenylsilane
SMILESCCCC[Sn](CCCC)(CCCC)C(Br)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28BrOSi.3C4H9.Sn/c1-18(15-16-22)17-23-24(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20;3*1-3-4-2;/h5-14,16,18H,15,17H2,1-4H3;3*1,3-4H2,2H3;/t18-;;;;/m1..../s1
InChIKeyVSEQMEPIHVZZAC-HHVPYRKWSA-N
XLogP9.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.50
LogP ≤ 59.74
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

tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
CID 11634122
[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
CID 15282997
(2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
CID 132558516
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(3S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexan-1-ol
CID 14704794
methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methylpentanoate
CID 11553115
tert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane
CID 134846014
2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal
CID 101084153
8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol
CID 73077971
(2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal
CID 11574459
4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile
CID 78163046

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-bromo-2-methyl-4-tributylstannylbutoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(2R)-4-bromo-2-methyl-4-tributylstannylbutoxy]-tert-butyl-diphenylsilane (CID 23727940) is [(2R)-4-bromo-2-methyl-4-tributylstannylbutoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2R)-4-bromo-2-methyl-4-tributylstannylbutoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(2R)-4-bromo-2-methyl-4-tributylstannylbutoxy]-tert-butyl-diphenylsilane is CCCC[Sn](CCCC)(CCCC)C(Br)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(2R)-4-bromo-2-methyl-4-tributylstannylbutoxy]-tert-butyl-diphenylsilane?
The InChIKey is VSEQMEPIHVZZAC-HHVPYRKWSA-N. The full InChI is InChI=1S/C21H28BrOSi.3C4H9.Sn/c1-18(15-16-22)17-23-24(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20;3*1-3-4-2;/h5-14,16,18H,15,17H2,1-4H3;3*1,3-4H2,2H3;/t18-;;;;/m1..../s1.
What are the key properties of [(2R)-4-bromo-2-methyl-4-tributylstannylbutoxy]-tert-butyl-diphenylsilane?
[(2R)-4-bromo-2-methyl-4-tributylstannylbutoxy]-tert-butyl-diphenylsilane has a molecular weight of 694.50 g/mol, XLogP of 9.74, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-bromo-2-methyl-4-tributylstannylbutoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 23727940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).