2-diphenylphosphoryl-4,4-dimethylpentanenitrile

C19H22NOP — CID 53247752

IUPAC2-diphenylphosphoryl-4,4-dimethylpentanenitrile
SMILESCC(C)(C)CC(C#N)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22NOP/c1-19(2,3)14-18(15-20)22(21,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,14H2,1-3H3
InChIKeyVAROGFOGSAGLBP-UHFFFAOYSA-N
MW311.37 g/mol
LogP4.33
Rot. Bonds4

About 2-diphenylphosphoryl-4,4-dimethylpentanenitrile

2-diphenylphosphoryl-4,4-dimethylpentanenitrile (PubChem CID 53247752) has the molecular formula C19H22NOP and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-diphenylphosphoryl-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name2-diphenylphosphoryl-4,4-dimethylpentanenitrile
PubChem CID53247752
Molecular FormulaC19H22NOP
Molecular Weight311.37 g/mol
Exact Mass311.14
IUPAC Name2-diphenylphosphoryl-4,4-dimethylpentanenitrile
SMILESCC(C)(C)CC(C#N)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22NOP/c1-19(2,3)14-18(15-20)22(21,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,14H2,1-3H3
InChIKeyVAROGFOGSAGLBP-UHFFFAOYSA-N
XLogP4.33
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-4,4-dimethylpentanenitrile?
The IUPAC name of 2-diphenylphosphoryl-4,4-dimethylpentanenitrile (CID 53247752) is 2-diphenylphosphoryl-4,4-dimethylpentanenitrile.
What is the SMILES notation for 2-diphenylphosphoryl-4,4-dimethylpentanenitrile?
The canonical SMILES for 2-diphenylphosphoryl-4,4-dimethylpentanenitrile is CC(C)(C)CC(C#N)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryl-4,4-dimethylpentanenitrile?
The InChIKey is VAROGFOGSAGLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22NOP/c1-19(2,3)14-18(15-20)22(21,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,14H2,1-3H3.
What are the key properties of 2-diphenylphosphoryl-4,4-dimethylpentanenitrile?
2-diphenylphosphoryl-4,4-dimethylpentanenitrile has a molecular weight of 311.37 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-4,4-dimethylpentanenitrile is sourced from PubChem (CID 53247752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).