(3-cyano-3-triethylsilylpentyl)boronic acid

C12H26BNO2Si — CID 154162125

IUPAC(3-cyano-3-triethylsilylpentyl)boronic acid
SMILESCCC(C#N)(CCB(O)O)[Si](CC)(CC)CC
InChIInChI=1S/C12H26BNO2Si/c1-5-12(11-14,9-10-13(15)16)17(6-2,7-3)8-4/h15-16H,5-10H2,1-4H3
InChIKeyXDKGRYSVRJOHKF-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.03
Rot. Bonds8

About (3-cyano-3-triethylsilylpentyl)boronic acid

(3-cyano-3-triethylsilylpentyl)boronic acid (PubChem CID 154162125) has the molecular formula C12H26BNO2Si and a molecular weight of 255.24 g/mol. Its IUPAC name is (3-cyano-3-triethylsilylpentyl)boronic acid.

Molecular Properties

Compound Name(3-cyano-3-triethylsilylpentyl)boronic acid
PubChem CID154162125
Molecular FormulaC12H26BNO2Si
Molecular Weight255.24 g/mol
Exact Mass255.18
IUPAC Name(3-cyano-3-triethylsilylpentyl)boronic acid
SMILESCCC(C#N)(CCB(O)O)[Si](CC)(CC)CC
InChIInChI=1S/C12H26BNO2Si/c1-5-12(11-14,9-10-13(15)16)17(6-2,7-3)8-4/h15-16H,5-10H2,1-4H3
InChIKeyXDKGRYSVRJOHKF-UHFFFAOYSA-N
XLogP3.03
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.03
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-3-triethylsilylpentyl)boronic acid?
The IUPAC name of (3-cyano-3-triethylsilylpentyl)boronic acid (CID 154162125) is (3-cyano-3-triethylsilylpentyl)boronic acid.
What is the SMILES notation for (3-cyano-3-triethylsilylpentyl)boronic acid?
The canonical SMILES for (3-cyano-3-triethylsilylpentyl)boronic acid is CCC(C#N)(CCB(O)O)[Si](CC)(CC)CC.
What is the InChIKey of (3-cyano-3-triethylsilylpentyl)boronic acid?
The InChIKey is XDKGRYSVRJOHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26BNO2Si/c1-5-12(11-14,9-10-13(15)16)17(6-2,7-3)8-4/h15-16H,5-10H2,1-4H3.
What are the key properties of (3-cyano-3-triethylsilylpentyl)boronic acid?
(3-cyano-3-triethylsilylpentyl)boronic acid has a molecular weight of 255.24 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyano-3-triethylsilylpentyl)boronic acid is sourced from PubChem (CID 154162125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).