[3-[tert-butyl(dimethyl)silyl]oxy-5-chlorophenyl]boronic acid

C12H20BClO3Si — CID 150229464

IUPAC[3-[tert-butyl(dimethyl)silyl]oxy-5-chlorophenyl]boronic acid
SMILESCC(C)(C)[Si](C)(C)Oc1cc(Cl)cc(B(O)O)c1
InChIInChI=1S/C12H20BClO3Si/c1-12(2,3)18(4,5)17-11-7-9(13(15)16)6-10(14)8-11/h6-8,15-16H,1-5H3
InChIKeyFVEBEFBNDWBYFX-UHFFFAOYSA-N
MW286.64 g/mol
LogP2.40
Rot. Bonds3

About [3-[tert-butyl(dimethyl)silyl]oxy-5-chlorophenyl]boronic acid

[3-[tert-butyl(dimethyl)silyl]oxy-5-chlorophenyl]boronic acid (PubChem CID 150229464) has the molecular formula C12H20BClO3Si and a molecular weight of 286.64 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxy-5-chlorophenyl]boronic acid.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxy-5-chlorophenyl]boronic acid
PubChem CID150229464
Molecular FormulaC12H20BClO3Si
Molecular Weight286.64 g/mol
Exact Mass286.10
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxy-5-chlorophenyl]boronic acid
SMILESCC(C)(C)[Si](C)(C)Oc1cc(Cl)cc(B(O)O)c1
InChIInChI=1S/C12H20BClO3Si/c1-12(2,3)18(4,5)17-11-7-9(13(15)16)6-10(14)8-11/h6-8,15-16H,1-5H3
InChIKeyFVEBEFBNDWBYFX-UHFFFAOYSA-N
XLogP2.40
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.64
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[tert-butyl(dimethyl)silyl]oxy-5-chlorophenyl]boronic acid?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-5-chlorophenyl]boronic acid (CID 150229464) is [3-[tert-butyl(dimethyl)silyl]oxy-5-chlorophenyl]boronic acid.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxy-5-chlorophenyl]boronic acid?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxy-5-chlorophenyl]boronic acid is CC(C)(C)[Si](C)(C)Oc1cc(Cl)cc(B(O)O)c1.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxy-5-chlorophenyl]boronic acid?
The InChIKey is FVEBEFBNDWBYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BClO3Si/c1-12(2,3)18(4,5)17-11-7-9(13(15)16)6-10(14)8-11/h6-8,15-16H,1-5H3.
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxy-5-chlorophenyl]boronic acid?
[3-[tert-butyl(dimethyl)silyl]oxy-5-chlorophenyl]boronic acid has a molecular weight of 286.64 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tert-butyl(dimethyl)silyl]oxy-5-chlorophenyl]boronic acid is sourced from PubChem (CID 150229464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).