[2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane

C15H35BrO2Si2 — CID 125380572

IUPAC[2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(Br)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H35BrO2Si2/c1-14(2,3)19(7,8)17-11-13(16)12-18-20(9,10)15(4,5)6/h13H,11-12H2,1-10H3
InChIKeySUXFIDUKDVMDFI-UHFFFAOYSA-N
MW383.52 g/mol
LogP5.79
Rot. Bonds6

About [2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane

[2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane (PubChem CID 125380572) has the molecular formula C15H35BrO2Si2 and a molecular weight of 383.52 g/mol. Its IUPAC name is [2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane
PubChem CID125380572
Molecular FormulaC15H35BrO2Si2
Molecular Weight383.52 g/mol
Exact Mass382.14
IUPAC Name[2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(Br)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H35BrO2Si2/c1-14(2,3)19(7,8)17-11-13(16)12-18-20(9,10)15(4,5)6/h13H,11-12H2,1-10H3
InChIKeySUXFIDUKDVMDFI-UHFFFAOYSA-N
XLogP5.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.52
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-bromooctoxy-tert-butyl-dimethylsilane
CID 19708690
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-N-methylpropan-2-amine
CID 71418024
tert-butyl-[(2S)-2-fluoropropoxy]-dimethylsilane
CID 141238974
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine
CID 53427177
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
tert-butyl-dimethyl-(2-methylbut-3-ynoxy)silane
CID 10584128
(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine;hydrochloride
CID 50999200

Frequently Asked Questions

What is the IUPAC name of [2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane (CID 125380572) is [2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC(Br)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane?
The InChIKey is SUXFIDUKDVMDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35BrO2Si2/c1-14(2,3)19(7,8)17-11-13(16)12-18-20(9,10)15(4,5)6/h13H,11-12H2,1-10H3.
What are the key properties of [2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane?
[2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane has a molecular weight of 383.52 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 125380572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).