1-bromohexan-3-yloxy-tert-butyl-dimethylsilane

C12H27BrOSi — CID 86242562

IUPAC1-bromohexan-3-yloxy-tert-butyl-dimethylsilane
SMILESCCCC(CCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H27BrOSi/c1-7-8-11(9-10-13)14-15(5,6)12(2,3)4/h11H,7-10H2,1-6H3
InChIKeyQYGSNCDCLUKXJA-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.96
Rot. Bonds6

About 1-bromohexan-3-yloxy-tert-butyl-dimethylsilane

1-bromohexan-3-yloxy-tert-butyl-dimethylsilane (PubChem CID 86242562) has the molecular formula C12H27BrOSi and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-bromohexan-3-yloxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name1-bromohexan-3-yloxy-tert-butyl-dimethylsilane
PubChem CID86242562
Molecular FormulaC12H27BrOSi
Molecular Weight295.34 g/mol
Exact Mass294.10
IUPAC Name1-bromohexan-3-yloxy-tert-butyl-dimethylsilane
SMILESCCCC(CCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H27BrOSi/c1-7-8-11(9-10-13)14-15(5,6)12(2,3)4/h11H,7-10H2,1-6H3
InChIKeyQYGSNCDCLUKXJA-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.96
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'}

Analyze 1-bromohexan-3-yloxy-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromohexan-3-yloxy-tert-butyl-dimethylsilane?
The IUPAC name of 1-bromohexan-3-yloxy-tert-butyl-dimethylsilane (CID 86242562) is 1-bromohexan-3-yloxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 1-bromohexan-3-yloxy-tert-butyl-dimethylsilane?
The canonical SMILES for 1-bromohexan-3-yloxy-tert-butyl-dimethylsilane is CCCC(CCBr)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-bromohexan-3-yloxy-tert-butyl-dimethylsilane?
The InChIKey is QYGSNCDCLUKXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27BrOSi/c1-7-8-11(9-10-13)14-15(5,6)12(2,3)4/h11H,7-10H2,1-6H3.
What are the key properties of 1-bromohexan-3-yloxy-tert-butyl-dimethylsilane?
1-bromohexan-3-yloxy-tert-butyl-dimethylsilane has a molecular weight of 295.34 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromohexan-3-yloxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 86242562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).