(2-cyano-3-triphenylsilylbutyl)boronic acid

C23H24BNO2Si — CID 154172017

IUPAC(2-cyano-3-triphenylsilylbutyl)boronic acid
SMILESCC(C(C#N)CB(O)O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24BNO2Si/c1-19(20(18-25)17-24(26)27)28(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,19-20,26-27H,17H2,1H3
InChIKeyRKKREYKZFKUNDU-UHFFFAOYSA-N
MW385.35 g/mol
LogP2.16
Rot. Bonds7

About (2-cyano-3-triphenylsilylbutyl)boronic acid

(2-cyano-3-triphenylsilylbutyl)boronic acid (PubChem CID 154172017) has the molecular formula C23H24BNO2Si and a molecular weight of 385.35 g/mol. Its IUPAC name is (2-cyano-3-triphenylsilylbutyl)boronic acid.

Molecular Properties

Compound Name(2-cyano-3-triphenylsilylbutyl)boronic acid
PubChem CID154172017
Molecular FormulaC23H24BNO2Si
Molecular Weight385.35 g/mol
Exact Mass385.17
IUPAC Name(2-cyano-3-triphenylsilylbutyl)boronic acid
SMILESCC(C(C#N)CB(O)O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24BNO2Si/c1-19(20(18-25)17-24(26)27)28(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,19-20,26-27H,17H2,1H3
InChIKeyRKKREYKZFKUNDU-UHFFFAOYSA-N
XLogP2.16
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-cyano-3-triphenylsilylbutyl)boronic acid?
The IUPAC name of (2-cyano-3-triphenylsilylbutyl)boronic acid (CID 154172017) is (2-cyano-3-triphenylsilylbutyl)boronic acid.
What is the SMILES notation for (2-cyano-3-triphenylsilylbutyl)boronic acid?
The canonical SMILES for (2-cyano-3-triphenylsilylbutyl)boronic acid is CC(C(C#N)CB(O)O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-cyano-3-triphenylsilylbutyl)boronic acid?
The InChIKey is RKKREYKZFKUNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BNO2Si/c1-19(20(18-25)17-24(26)27)28(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,19-20,26-27H,17H2,1H3.
What are the key properties of (2-cyano-3-triphenylsilylbutyl)boronic acid?
(2-cyano-3-triphenylsilylbutyl)boronic acid has a molecular weight of 385.35 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyano-3-triphenylsilylbutyl)boronic acid is sourced from PubChem (CID 154172017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).