[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane

C10H23BrOSi — CID 125499133

IUPAC[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
SMILESC[C@H](Br)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H23BrOSi/c1-9(11)7-8-12-13(5,6)10(2,3)4/h9H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyNQUYWHLBFCCHBT-VIFPVBQESA-N
MW267.28 g/mol
LogP4.18
Rot. Bonds4

About [(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane

[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane (PubChem CID 125499133) has the molecular formula C10H23BrOSi and a molecular weight of 267.28 g/mol. Its IUPAC name is [(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
PubChem CID125499133
Molecular FormulaC10H23BrOSi
Molecular Weight267.28 g/mol
Exact Mass266.07
IUPAC Name[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
SMILESC[C@H](Br)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H23BrOSi/c1-9(11)7-8-12-13(5,6)10(2,3)4/h9H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyNQUYWHLBFCCHBT-VIFPVBQESA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 54.18
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

[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10902026
(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylpentan-1-ol
CID 10467808
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol
CID 71545770
6-bromo-1-[tert-butyl(dimethyl)silyl]oxyheptan-2-one
CID 155600165
[2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane
CID 125380572
(3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 10755088
tert-butyl-dimethyl-(3-methylhept-5-enoxy)silane
CID 57087962
(E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol
CID 135045339
(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine
CID 125493831
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane (CID 125499133) is [(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane is C[C@H](Br)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane?
The InChIKey is NQUYWHLBFCCHBT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H23BrOSi/c1-9(11)7-8-12-13(5,6)10(2,3)4/h9H,7-8H2,1-6H3/t9-/m0/s1.
What are the key properties of [(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane?
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane has a molecular weight of 267.28 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 125499133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).