(3-cyano-5-methyl-4-triethylsilylhexan-2-yl)boronic acid

C14H30BNO2Si — CID 154144675

IUPAC(3-cyano-5-methyl-4-triethylsilylhexan-2-yl)boronic acid
SMILESCC[Si](CC)(CC)C(C(C)C)C(C#N)C(C)B(O)O
InChIInChI=1S/C14H30BNO2Si/c1-7-19(8-2,9-3)14(11(4)5)13(10-16)12(6)15(17)18/h11-14,17-18H,7-9H2,1-6H3
InChIKeyQILKNSPMWDOPSD-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.52
Rot. Bonds8

About (3-cyano-5-methyl-4-triethylsilylhexan-2-yl)boronic acid

(3-cyano-5-methyl-4-triethylsilylhexan-2-yl)boronic acid (PubChem CID 154144675) has the molecular formula C14H30BNO2Si and a molecular weight of 283.30 g/mol. Its IUPAC name is (3-cyano-5-methyl-4-triethylsilylhexan-2-yl)boronic acid.

Molecular Properties

Compound Name(3-cyano-5-methyl-4-triethylsilylhexan-2-yl)boronic acid
PubChem CID154144675
Molecular FormulaC14H30BNO2Si
Molecular Weight283.30 g/mol
Exact Mass283.21
IUPAC Name(3-cyano-5-methyl-4-triethylsilylhexan-2-yl)boronic acid
SMILESCC[Si](CC)(CC)C(C(C)C)C(C#N)C(C)B(O)O
InChIInChI=1S/C14H30BNO2Si/c1-7-19(8-2,9-3)14(11(4)5)13(10-16)12(6)15(17)18/h11-14,17-18H,7-9H2,1-6H3
InChIKeyQILKNSPMWDOPSD-UHFFFAOYSA-N
XLogP3.52
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.52
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-cyano-5-methyl-4-triethylsilylhexan-2-yl)boronic acid?
The IUPAC name of (3-cyano-5-methyl-4-triethylsilylhexan-2-yl)boronic acid (CID 154144675) is (3-cyano-5-methyl-4-triethylsilylhexan-2-yl)boronic acid.
What is the SMILES notation for (3-cyano-5-methyl-4-triethylsilylhexan-2-yl)boronic acid?
The canonical SMILES for (3-cyano-5-methyl-4-triethylsilylhexan-2-yl)boronic acid is CC[Si](CC)(CC)C(C(C)C)C(C#N)C(C)B(O)O.
What is the InChIKey of (3-cyano-5-methyl-4-triethylsilylhexan-2-yl)boronic acid?
The InChIKey is QILKNSPMWDOPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30BNO2Si/c1-7-19(8-2,9-3)14(11(4)5)13(10-16)12(6)15(17)18/h11-14,17-18H,7-9H2,1-6H3.
What are the key properties of (3-cyano-5-methyl-4-triethylsilylhexan-2-yl)boronic acid?
(3-cyano-5-methyl-4-triethylsilylhexan-2-yl)boronic acid has a molecular weight of 283.30 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyano-5-methyl-4-triethylsilylhexan-2-yl)boronic acid is sourced from PubChem (CID 154144675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).