[3-(4-bromophenyl)cyclobutyl]methoxy-tert-butyl-dimethylsilane

C17H27BrOSi — CID 155744450

IUPAC[3-(4-bromophenyl)cyclobutyl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H27BrOSi/c1-17(2,3)20(4,5)19-12-13-10-15(11-13)14-6-8-16(18)9-7-14/h6-9,13,15H,10-12H2,1-5H3
InChIKeyZWZCSRXAEYDCSU-UHFFFAOYSA-N
MW355.39 g/mol
LogP5.96
Rot. Bonds4

About [3-(4-bromophenyl)cyclobutyl]methoxy-tert-butyl-dimethylsilane

[3-(4-bromophenyl)cyclobutyl]methoxy-tert-butyl-dimethylsilane (PubChem CID 155744450) has the molecular formula C17H27BrOSi and a molecular weight of 355.39 g/mol. Its IUPAC name is [3-(4-bromophenyl)cyclobutyl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-(4-bromophenyl)cyclobutyl]methoxy-tert-butyl-dimethylsilane
PubChem CID155744450
Molecular FormulaC17H27BrOSi
Molecular Weight355.39 g/mol
Exact Mass354.10
IUPAC Name[3-(4-bromophenyl)cyclobutyl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H27BrOSi/c1-17(2,3)20(4,5)19-12-13-10-15(11-13)14-6-8-16(18)9-7-14/h6-9,13,15H,10-12H2,1-5H3
InChIKeyZWZCSRXAEYDCSU-UHFFFAOYSA-N
XLogP5.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.39
LogP ≤ 55.96
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 [3-(4-bromophenyl)cyclobutyl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [3-(4-bromophenyl)cyclobutyl]methoxy-tert-butyl-dimethylsilane (CID 155744450) is [3-(4-bromophenyl)cyclobutyl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-(4-bromophenyl)cyclobutyl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [3-(4-bromophenyl)cyclobutyl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1CC(c2ccc(Br)cc2)C1.
What is the InChIKey of [3-(4-bromophenyl)cyclobutyl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is ZWZCSRXAEYDCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrOSi/c1-17(2,3)20(4,5)19-12-13-10-15(11-13)14-6-8-16(18)9-7-14/h6-9,13,15H,10-12H2,1-5H3.
What are the key properties of [3-(4-bromophenyl)cyclobutyl]methoxy-tert-butyl-dimethylsilane?
[3-(4-bromophenyl)cyclobutyl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 355.39 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)cyclobutyl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 155744450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).