(3-cyano-4-trimethylsilylpentan-2-yl)boronic acid

C9H20BNO2Si — CID 154174243

IUPAC(3-cyano-4-trimethylsilylpentan-2-yl)boronic acid
SMILESCC(B(O)O)C(C#N)C(C)[Si](C)(C)C
InChIInChI=1S/C9H20BNO2Si/c1-7(10(12)13)9(6-11)8(2)14(3,4)5/h7-9,12-13H,1-5H3
InChIKeyCAYHRYPPDGQPPG-UHFFFAOYSA-N
MW213.16 g/mol
LogP1.72
Rot. Bonds4

About (3-cyano-4-trimethylsilylpentan-2-yl)boronic acid

(3-cyano-4-trimethylsilylpentan-2-yl)boronic acid (PubChem CID 154174243) has the molecular formula C9H20BNO2Si and a molecular weight of 213.16 g/mol. Its IUPAC name is (3-cyano-4-trimethylsilylpentan-2-yl)boronic acid.

Molecular Properties

Compound Name(3-cyano-4-trimethylsilylpentan-2-yl)boronic acid
PubChem CID154174243
Molecular FormulaC9H20BNO2Si
Molecular Weight213.16 g/mol
Exact Mass213.14
IUPAC Name(3-cyano-4-trimethylsilylpentan-2-yl)boronic acid
SMILESCC(B(O)O)C(C#N)C(C)[Si](C)(C)C
InChIInChI=1S/C9H20BNO2Si/c1-7(10(12)13)9(6-11)8(2)14(3,4)5/h7-9,12-13H,1-5H3
InChIKeyCAYHRYPPDGQPPG-UHFFFAOYSA-N
XLogP1.72
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 51.72
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-4-trimethylsilylpentan-2-yl)boronic acid?
The IUPAC name of (3-cyano-4-trimethylsilylpentan-2-yl)boronic acid (CID 154174243) is (3-cyano-4-trimethylsilylpentan-2-yl)boronic acid.
What is the SMILES notation for (3-cyano-4-trimethylsilylpentan-2-yl)boronic acid?
The canonical SMILES for (3-cyano-4-trimethylsilylpentan-2-yl)boronic acid is CC(B(O)O)C(C#N)C(C)[Si](C)(C)C.
What is the InChIKey of (3-cyano-4-trimethylsilylpentan-2-yl)boronic acid?
The InChIKey is CAYHRYPPDGQPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BNO2Si/c1-7(10(12)13)9(6-11)8(2)14(3,4)5/h7-9,12-13H,1-5H3.
What are the key properties of (3-cyano-4-trimethylsilylpentan-2-yl)boronic acid?
(3-cyano-4-trimethylsilylpentan-2-yl)boronic acid has a molecular weight of 213.16 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyano-4-trimethylsilylpentan-2-yl)boronic acid is sourced from PubChem (CID 154174243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).