(4-bromo-3,5-dimethylphenyl)methoxy-tert-butyl-diphenylsilane

C25H29BrOSi — CID 155819690

IUPAC(4-bromo-3,5-dimethylphenyl)methoxy-tert-butyl-diphenylsilane
SMILESCc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C)c1Br
InChIInChI=1S/C25H29BrOSi/c1-19-16-21(17-20(2)24(19)26)18-27-28(25(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-17H,18H2,1-5H3
InChIKeyOVXKCDRYMKYYRD-UHFFFAOYSA-N
MW453.50 g/mol
LogP6.14
Rot. Bonds5

About (4-bromo-3,5-dimethylphenyl)methoxy-tert-butyl-diphenylsilane

(4-bromo-3,5-dimethylphenyl)methoxy-tert-butyl-diphenylsilane (PubChem CID 155819690) has the molecular formula C25H29BrOSi and a molecular weight of 453.50 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)methoxy-tert-butyl-diphenylsilane
PubChem CID155819690
Molecular FormulaC25H29BrOSi
Molecular Weight453.50 g/mol
Exact Mass452.12
IUPAC Name(4-bromo-3,5-dimethylphenyl)methoxy-tert-butyl-diphenylsilane
SMILESCc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C)c1Br
InChIInChI=1S/C25H29BrOSi/c1-19-16-21(17-20(2)24(19)26)18-27-28(25(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-17H,18H2,1-5H3
InChIKeyOVXKCDRYMKYYRD-UHFFFAOYSA-N
XLogP6.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.50
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)methoxy-tert-butyl-diphenylsilane?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)methoxy-tert-butyl-diphenylsilane (CID 155819690) is (4-bromo-3,5-dimethylphenyl)methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)methoxy-tert-butyl-diphenylsilane is Cc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C)c1Br.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)methoxy-tert-butyl-diphenylsilane?
The InChIKey is OVXKCDRYMKYYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BrOSi/c1-19-16-21(17-20(2)24(19)26)18-27-28(25(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-17H,18H2,1-5H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)methoxy-tert-butyl-diphenylsilane?
(4-bromo-3,5-dimethylphenyl)methoxy-tert-butyl-diphenylsilane has a molecular weight of 453.50 g/mol, XLogP of 6.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenyl)methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 155819690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).