(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(4-trimethylsilylphenyl)borinic acid

C15H27BO3Si — CID 75493074

IUPAC(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(4-trimethylsilylphenyl)borinic acid
SMILESCC(C)(O)C(C)(C)OB(O)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C15H27BO3Si/c1-14(2,17)15(3,4)19-16(18)12-8-10-13(11-9-12)20(5,6)7/h8-11,17-18H,1-7H3
InChIKeyVBWHZCDTFOOYMO-UHFFFAOYSA-N
MW294.28 g/mol
LogP1.49
Rot. Bonds5

About (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(4-trimethylsilylphenyl)borinic acid

(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(4-trimethylsilylphenyl)borinic acid (PubChem CID 75493074) has the molecular formula C15H27BO3Si and a molecular weight of 294.28 g/mol. Its IUPAC name is (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(4-trimethylsilylphenyl)borinic acid.

Molecular Properties

Compound Name(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(4-trimethylsilylphenyl)borinic acid
PubChem CID75493074
Molecular FormulaC15H27BO3Si
Molecular Weight294.28 g/mol
Exact Mass294.18
IUPAC Name(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(4-trimethylsilylphenyl)borinic acid
SMILESCC(C)(O)C(C)(C)OB(O)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C15H27BO3Si/c1-14(2,17)15(3,4)19-16(18)12-8-10-13(11-9-12)20(5,6)7/h8-11,17-18H,1-7H3
InChIKeyVBWHZCDTFOOYMO-UHFFFAOYSA-N
XLogP1.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 51.49
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-hydroxy-2,3-dimethylbutan-2-yl)oxy-(4-trimethylsilylphenyl)borinic acid?
The IUPAC name of (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(4-trimethylsilylphenyl)borinic acid (CID 75493074) is (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(4-trimethylsilylphenyl)borinic acid.
What is the SMILES notation for (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(4-trimethylsilylphenyl)borinic acid?
The canonical SMILES for (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(4-trimethylsilylphenyl)borinic acid is CC(C)(O)C(C)(C)OB(O)c1ccc([Si](C)(C)C)cc1.
What is the InChIKey of (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(4-trimethylsilylphenyl)borinic acid?
The InChIKey is VBWHZCDTFOOYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BO3Si/c1-14(2,17)15(3,4)19-16(18)12-8-10-13(11-9-12)20(5,6)7/h8-11,17-18H,1-7H3.
What are the key properties of (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(4-trimethylsilylphenyl)borinic acid?
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(4-trimethylsilylphenyl)borinic acid has a molecular weight of 294.28 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(4-trimethylsilylphenyl)borinic acid is sourced from PubChem (CID 75493074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).