[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane

C11H25BrOSi — CID 10902026

IUPAC[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
SMILESC[C@@H](CBr)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H25BrOSi/c1-10(9-12)7-8-13-14(5,6)11(2,3)4/h10H,7-9H2,1-6H3/t10-/m1/s1
InChIKeyMZZXNSANJOAQSE-SNVBAGLBSA-N
MW281.31 g/mol
LogP4.43
Rot. Bonds5

About [(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane

[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane (PubChem CID 10902026) has the molecular formula C11H25BrOSi and a molecular weight of 281.31 g/mol. Its IUPAC name is [(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
PubChem CID10902026
Molecular FormulaC11H25BrOSi
Molecular Weight281.31 g/mol
Exact Mass280.09
IUPAC Name[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
SMILESC[C@@H](CBr)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H25BrOSi/c1-10(9-12)7-8-13-14(5,6)11(2,3)4/h10H,7-9H2,1-6H3/t10-/m1/s1
InChIKeyMZZXNSANJOAQSE-SNVBAGLBSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 54.43
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

[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133
tert-butyl-dimethyl-(3-methylhept-5-enoxy)silane
CID 57087962
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 14234520
methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate
CID 11219571
ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 101084181
(E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol
CID 135045339
(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylpentan-1-ol
CID 10467808
tert-butyl-dimethyl-(13-methylpentadecoxy)silane
CID 6430276
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol
CID 71545770
(3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 10755088
2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy-tert-butyl-dimethylsilane
CID 91254063
2-[2-(2-bromoethoxy)ethoxy]ethoxy-tert-butyl-dimethylsilane
CID 18469819

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane (CID 10902026) is [(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane is C[C@@H](CBr)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane?
The InChIKey is MZZXNSANJOAQSE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H25BrOSi/c1-10(9-12)7-8-13-14(5,6)11(2,3)4/h10H,7-9H2,1-6H3/t10-/m1/s1.
What are the key properties of [(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane?
[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane has a molecular weight of 281.31 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 10902026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).