[3-cyano-4-tri(propan-2-yl)silylpentan-2-yl]boronic acid

C15H32BNO2Si — CID 154150630

IUPAC[3-cyano-4-tri(propan-2-yl)silylpentan-2-yl]boronic acid
SMILESCC(B(O)O)C(C#N)C(C)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H32BNO2Si/c1-10(2)20(11(3)4,12(5)6)14(8)15(9-17)13(7)16(18)19/h10-15,18-19H,1-8H3
InChIKeyCMJCYZJLDBVTBK-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.06
Rot. Bonds7

About [3-cyano-4-tri(propan-2-yl)silylpentan-2-yl]boronic acid

[3-cyano-4-tri(propan-2-yl)silylpentan-2-yl]boronic acid (PubChem CID 154150630) has the molecular formula C15H32BNO2Si and a molecular weight of 297.32 g/mol. Its IUPAC name is [3-cyano-4-tri(propan-2-yl)silylpentan-2-yl]boronic acid.

Molecular Properties

Compound Name[3-cyano-4-tri(propan-2-yl)silylpentan-2-yl]boronic acid
PubChem CID154150630
Molecular FormulaC15H32BNO2Si
Molecular Weight297.32 g/mol
Exact Mass297.23
IUPAC Name[3-cyano-4-tri(propan-2-yl)silylpentan-2-yl]boronic acid
SMILESCC(B(O)O)C(C#N)C(C)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H32BNO2Si/c1-10(2)20(11(3)4,12(5)6)14(8)15(9-17)13(7)16(18)19/h10-15,18-19H,1-8H3
InChIKeyCMJCYZJLDBVTBK-UHFFFAOYSA-N
XLogP4.06
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.06
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-tri(propan-2-yl)silylpentan-2-yl]boronic acid?
The IUPAC name of [3-cyano-4-tri(propan-2-yl)silylpentan-2-yl]boronic acid (CID 154150630) is [3-cyano-4-tri(propan-2-yl)silylpentan-2-yl]boronic acid.
What is the SMILES notation for [3-cyano-4-tri(propan-2-yl)silylpentan-2-yl]boronic acid?
The canonical SMILES for [3-cyano-4-tri(propan-2-yl)silylpentan-2-yl]boronic acid is CC(B(O)O)C(C#N)C(C)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [3-cyano-4-tri(propan-2-yl)silylpentan-2-yl]boronic acid?
The InChIKey is CMJCYZJLDBVTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32BNO2Si/c1-10(2)20(11(3)4,12(5)6)14(8)15(9-17)13(7)16(18)19/h10-15,18-19H,1-8H3.
What are the key properties of [3-cyano-4-tri(propan-2-yl)silylpentan-2-yl]boronic acid?
[3-cyano-4-tri(propan-2-yl)silylpentan-2-yl]boronic acid has a molecular weight of 297.32 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyano-4-tri(propan-2-yl)silylpentan-2-yl]boronic acid is sourced from PubChem (CID 154150630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).