(5-bromo-3-methoxy-3-methylpentoxy)-[(2-methylpropan-2-yl)oxy]-diphenylsilane

C23H33BrO3Si — CID 57074654

IUPAC(5-bromo-3-methoxy-3-methylpentoxy)-[(2-methylpropan-2-yl)oxy]-diphenylsilane
SMILESCOC(C)(CCBr)CCO[Si](OC(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H33BrO3Si/c1-22(2,3)27-28(20-12-8-6-9-13-20,21-14-10-7-11-15-21)26-19-17-23(4,25-5)16-18-24/h6-15H,16-19H2,1-5H3
InChIKeyDXMSHPJETNWGBX-UHFFFAOYSA-N
MW465.50 g/mol
LogP4.65
Rot. Bonds10

About (5-bromo-3-methoxy-3-methylpentoxy)-[(2-methylpropan-2-yl)oxy]-diphenylsilane

(5-bromo-3-methoxy-3-methylpentoxy)-[(2-methylpropan-2-yl)oxy]-diphenylsilane (PubChem CID 57074654) has the molecular formula C23H33BrO3Si and a molecular weight of 465.50 g/mol. Its IUPAC name is (5-bromo-3-methoxy-3-methylpentoxy)-[(2-methylpropan-2-yl)oxy]-diphenylsilane.

Molecular Properties

Compound Name(5-bromo-3-methoxy-3-methylpentoxy)-[(2-methylpropan-2-yl)oxy]-diphenylsilane
PubChem CID57074654
Molecular FormulaC23H33BrO3Si
Molecular Weight465.50 g/mol
Exact Mass464.14
IUPAC Name(5-bromo-3-methoxy-3-methylpentoxy)-[(2-methylpropan-2-yl)oxy]-diphenylsilane
SMILESCOC(C)(CCBr)CCO[Si](OC(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H33BrO3Si/c1-22(2,3)27-28(20-12-8-6-9-13-20,21-14-10-7-11-15-21)26-19-17-23(4,25-5)16-18-24/h6-15H,16-19H2,1-5H3
InChIKeyDXMSHPJETNWGBX-UHFFFAOYSA-N
XLogP4.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[3-methoxy-3-(2-methoxyethoxy)butoxy]-[(2-methylpropan-2-yl)oxy]-diphenylsilane
CID 57053596
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
methoxy-diphenyl-propoxysilane
CID 22955915
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
ethyl-bis[(2-methylpropan-2-yl)oxy]-phenylsilane
CID 66774383
(2-methylpropan-2-yl)oxy-[4-[(2-methylpropan-2-yl)oxy-diphenylsilyl]phenyl]-diphenylsilane
CID 87143933
4-[tert-butyl(diphenyl)silyl]oxy-N,2,2-trimethylbutan-1-amine
CID 66997840
[(3S)-6-bromo-3-(2-bromoethyl)hexoxy]-tert-butyl-diphenylsilane
CID 154420849
[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
CID 15282997
2-[2-(dimethylamino)ethoxy-diphenylsilyl]oxy-N,N-dimethylethanamine
CID 23278623
(1-bromo-2-methylpropan-2-yl)oxy-dimethyl-phenylsilane
CID 67245137
butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane
CID 68750279

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methoxy-3-methylpentoxy)-[(2-methylpropan-2-yl)oxy]-diphenylsilane?
The IUPAC name of (5-bromo-3-methoxy-3-methylpentoxy)-[(2-methylpropan-2-yl)oxy]-diphenylsilane (CID 57074654) is (5-bromo-3-methoxy-3-methylpentoxy)-[(2-methylpropan-2-yl)oxy]-diphenylsilane.
What is the SMILES notation for (5-bromo-3-methoxy-3-methylpentoxy)-[(2-methylpropan-2-yl)oxy]-diphenylsilane?
The canonical SMILES for (5-bromo-3-methoxy-3-methylpentoxy)-[(2-methylpropan-2-yl)oxy]-diphenylsilane is COC(C)(CCBr)CCO[Si](OC(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5-bromo-3-methoxy-3-methylpentoxy)-[(2-methylpropan-2-yl)oxy]-diphenylsilane?
The InChIKey is DXMSHPJETNWGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33BrO3Si/c1-22(2,3)27-28(20-12-8-6-9-13-20,21-14-10-7-11-15-21)26-19-17-23(4,25-5)16-18-24/h6-15H,16-19H2,1-5H3.
What are the key properties of (5-bromo-3-methoxy-3-methylpentoxy)-[(2-methylpropan-2-yl)oxy]-diphenylsilane?
(5-bromo-3-methoxy-3-methylpentoxy)-[(2-methylpropan-2-yl)oxy]-diphenylsilane has a molecular weight of 465.50 g/mol, XLogP of 4.65, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methoxy-3-methylpentoxy)-[(2-methylpropan-2-yl)oxy]-diphenylsilane is sourced from PubChem (CID 57074654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).