[(1S)-1-(4-bromophenyl)hexoxy]-tert-butyl-dimethylsilane

C18H31BrOSi — CID 11383144

IUPAC[(1S)-1-(4-bromophenyl)hexoxy]-tert-butyl-dimethylsilane
SMILESCCCCC[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C18H31BrOSi/c1-7-8-9-10-17(15-11-13-16(19)14-12-15)20-21(5,6)18(2,3)4/h11-14,17H,7-10H2,1-6H3/t17-/m0/s1
InChIKeySTBAOIZEBPGWRS-KRWDZBQOSA-N
MW371.44 g/mol
LogP7.09
Rot. Bonds7

About [(1S)-1-(4-bromophenyl)hexoxy]-tert-butyl-dimethylsilane

[(1S)-1-(4-bromophenyl)hexoxy]-tert-butyl-dimethylsilane (PubChem CID 11383144) has the molecular formula C18H31BrOSi and a molecular weight of 371.44 g/mol. Its IUPAC name is [(1S)-1-(4-bromophenyl)hexoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S)-1-(4-bromophenyl)hexoxy]-tert-butyl-dimethylsilane
PubChem CID11383144
Molecular FormulaC18H31BrOSi
Molecular Weight371.44 g/mol
Exact Mass370.13
IUPAC Name[(1S)-1-(4-bromophenyl)hexoxy]-tert-butyl-dimethylsilane
SMILESCCCCC[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C18H31BrOSi/c1-7-8-9-10-17(15-11-13-16(19)14-12-15)20-21(5,6)18(2,3)4/h11-14,17H,7-10H2,1-6H3/t17-/m0/s1
InChIKeySTBAOIZEBPGWRS-KRWDZBQOSA-N
XLogP7.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-bromophenyl)hexoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(1S)-1-(4-bromophenyl)hexoxy]-tert-butyl-dimethylsilane (CID 11383144) is [(1S)-1-(4-bromophenyl)hexoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S)-1-(4-bromophenyl)hexoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S)-1-(4-bromophenyl)hexoxy]-tert-butyl-dimethylsilane is CCCCC[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of [(1S)-1-(4-bromophenyl)hexoxy]-tert-butyl-dimethylsilane?
The InChIKey is STBAOIZEBPGWRS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H31BrOSi/c1-7-8-9-10-17(15-11-13-16(19)14-12-15)20-21(5,6)18(2,3)4/h11-14,17H,7-10H2,1-6H3/t17-/m0/s1.
What are the key properties of [(1S)-1-(4-bromophenyl)hexoxy]-tert-butyl-dimethylsilane?
[(1S)-1-(4-bromophenyl)hexoxy]-tert-butyl-dimethylsilane has a molecular weight of 371.44 g/mol, XLogP of 7.09, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-bromophenyl)hexoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11383144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).