tert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane

C15H24Br2OSi — CID 15262613

IUPACtert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(CC(Br)Br)c1ccccc1
InChIInChI=1S/C15H24Br2OSi/c1-15(2,3)19(4,5)18-13(11-14(16)17)12-9-7-6-8-10-12/h6-10,13-14H,11H2,1-5H3
InChIKeyZVSKGIGFQXSMNO-UHFFFAOYSA-N
MW408.25 g/mol
LogP6.26
Rot. Bonds5

About tert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane

tert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane (PubChem CID 15262613) has the molecular formula C15H24Br2OSi and a molecular weight of 408.25 g/mol. Its IUPAC name is tert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane
PubChem CID15262613
Molecular FormulaC15H24Br2OSi
Molecular Weight408.25 g/mol
Exact Mass406.00
IUPAC Nametert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(CC(Br)Br)c1ccccc1
InChIInChI=1S/C15H24Br2OSi/c1-15(2,3)19(4,5)18-13(11-14(16)17)12-9-7-6-8-10-12/h6-10,13-14H,11H2,1-5H3
InChIKeyZVSKGIGFQXSMNO-UHFFFAOYSA-N
XLogP6.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.25
LogP ≤ 56.26
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-dimethyl-(1-phenylbut-3-enoxy)silane
CID 11230810
(1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol
CID 101047793
(5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal
CID 11419569
[(1S)-2-azido-1-phenylethoxy]-tert-butyl-dimethylsilane
CID 22867082
tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane
CID 10789748
tert-butyl-dimethyl-[(1S)-4-nitro-1-phenylbutoxy]silane
CID 11141410
methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxo-4-phenylbutanoate
CID 23729831
[(E)-4-(benzenesulfonyl)-1-phenylbut-3-enoxy]-tert-butyl-dimethylsilane
CID 15534325
2,2,2-trichloroethyl N-[(1S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-1-phenylheptan-3-yl]-N-methylcarbamate
CID 11375949
2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine
CID 91743544
N-[2-(4-bromophenyl)-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzamide
CID 139253351
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane (CID 15262613) is tert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane is CC(C)(C)[Si](C)(C)OC(CC(Br)Br)c1ccccc1.
What is the InChIKey of tert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane?
The InChIKey is ZVSKGIGFQXSMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24Br2OSi/c1-15(2,3)19(4,5)18-13(11-14(16)17)12-9-7-6-8-10-12/h6-10,13-14H,11H2,1-5H3.
What are the key properties of tert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane?
tert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane has a molecular weight of 408.25 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane is sourced from PubChem (CID 15262613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).