1-(4-bromophenyl)butyl-tert-butylsilane

C14H23BrSi — CID 154193980

IUPAC1-(4-bromophenyl)butyl-tert-butylsilane
SMILESCCCC([SiH2]C(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C14H23BrSi/c1-5-6-13(16-14(2,3)4)11-7-9-12(15)10-8-11/h7-10,13H,5-6,16H2,1-4H3
InChIKeyMUTUODDPNOGBEY-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.68
Rot. Bonds4

About 1-(4-bromophenyl)butyl-tert-butylsilane

1-(4-bromophenyl)butyl-tert-butylsilane (PubChem CID 154193980) has the molecular formula C14H23BrSi and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-(4-bromophenyl)butyl-tert-butylsilane.

Molecular Properties

Compound Name1-(4-bromophenyl)butyl-tert-butylsilane
PubChem CID154193980
Molecular FormulaC14H23BrSi
Molecular Weight299.33 g/mol
Exact Mass298.08
IUPAC Name1-(4-bromophenyl)butyl-tert-butylsilane
SMILESCCCC([SiH2]C(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C14H23BrSi/c1-5-6-13(16-14(2,3)4)11-7-9-12(15)10-8-11/h7-10,13H,5-6,16H2,1-4H3
InChIKeyMUTUODDPNOGBEY-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1-(4-bromophenyl)butyl-tert-butylsilane?
The IUPAC name of 1-(4-bromophenyl)butyl-tert-butylsilane (CID 154193980) is 1-(4-bromophenyl)butyl-tert-butylsilane.
What is the SMILES notation for 1-(4-bromophenyl)butyl-tert-butylsilane?
The canonical SMILES for 1-(4-bromophenyl)butyl-tert-butylsilane is CCCC([SiH2]C(C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)butyl-tert-butylsilane?
The InChIKey is MUTUODDPNOGBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrSi/c1-5-6-13(16-14(2,3)4)11-7-9-12(15)10-8-11/h7-10,13H,5-6,16H2,1-4H3.
What are the key properties of 1-(4-bromophenyl)butyl-tert-butylsilane?
1-(4-bromophenyl)butyl-tert-butylsilane has a molecular weight of 299.33 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)butyl-tert-butylsilane is sourced from PubChem (CID 154193980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).