p-Tertbutyldimethylsiloxy-bromobenzene

C12H18BrOSi — CID 19092176

IUPAC—
SMILESC[Si](C)Oc1cc(C(C)(C)C)ccc1Br
InChIInChI=1S/C12H18BrOSi/c1-12(2,3)9-6-7-10(13)11(8-9)14-15(4)5/h6-8H,1-5H3
InChIKeyPVATZXLUUKTPEB-UHFFFAOYSA-N
MW286.27 g/mol
LogP4.38
Rot. Bonds2

About p-Tertbutyldimethylsiloxy-bromobenzene

p-Tertbutyldimethylsiloxy-bromobenzene (PubChem CID 19092176) has the molecular formula C12H18BrOSi and a molecular weight of 286.27 g/mol.

Molecular Properties

Compound Namep-Tertbutyldimethylsiloxy-bromobenzene
PubChem CID19092176
Molecular FormulaC12H18BrOSi
Molecular Weight286.27 g/mol
Exact Mass285.03
IUPAC Name—
SMILESC[Si](C)Oc1cc(C(C)(C)C)ccc1Br
InChIInChI=1S/C12H18BrOSi/c1-12(2,3)9-6-7-10(13)11(8-9)14-15(4)5/h6-8H,1-5H3
InChIKeyPVATZXLUUKTPEB-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 54.38
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 p-Tertbutyldimethylsiloxy-bromobenzene?
The IUPAC name of p-Tertbutyldimethylsiloxy-bromobenzene (CID 19092176) is not available.
What is the SMILES notation for p-Tertbutyldimethylsiloxy-bromobenzene?
The canonical SMILES for p-Tertbutyldimethylsiloxy-bromobenzene is C[Si](C)Oc1cc(C(C)(C)C)ccc1Br.
What is the InChIKey of p-Tertbutyldimethylsiloxy-bromobenzene?
The InChIKey is PVATZXLUUKTPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrOSi/c1-12(2,3)9-6-7-10(13)11(8-9)14-15(4)5/h6-8H,1-5H3.
What are the key properties of p-Tertbutyldimethylsiloxy-bromobenzene?
p-Tertbutyldimethylsiloxy-bromobenzene has a molecular weight of 286.27 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for p-Tertbutyldimethylsiloxy-bromobenzene is sourced from PubChem (CID 19092176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).