2,2,6,6-tetramethyl-1-phenylphosphinan-4-one

C15H21OP — CID 4130459

IUPAC2,2,6,6-tetramethyl-1-phenylphosphinan-4-one
SMILESCC1(C)CC(=O)CC(C)(C)P1c1ccccc1
InChIInChI=1S/C15H21OP/c1-14(2)10-12(16)11-15(3,4)17(14)13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3
InChIKeyOVNKJCJEHZIBLX-UHFFFAOYSA-N
MW248.31 g/mol
LogP3.71
Rot. Bonds1

About 2,2,6,6-tetramethyl-1-phenylphosphinan-4-one

2,2,6,6-tetramethyl-1-phenylphosphinan-4-one (PubChem CID 4130459) has the molecular formula C15H21OP and a molecular weight of 248.31 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-phenylphosphinan-4-one.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-phenylphosphinan-4-one
PubChem CID4130459
Molecular FormulaC15H21OP
Molecular Weight248.31 g/mol
Exact Mass248.13
IUPAC Name2,2,6,6-tetramethyl-1-phenylphosphinan-4-one
SMILESCC1(C)CC(=O)CC(C)(C)P1c1ccccc1
InChIInChI=1S/C15H21OP/c1-14(2)10-12(16)11-15(3,4)17(14)13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3
InChIKeyOVNKJCJEHZIBLX-UHFFFAOYSA-N
XLogP3.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-phenylphosphinan-4-one?
The IUPAC name of 2,2,6,6-tetramethyl-1-phenylphosphinan-4-one (CID 4130459) is 2,2,6,6-tetramethyl-1-phenylphosphinan-4-one.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-phenylphosphinan-4-one?
The canonical SMILES for 2,2,6,6-tetramethyl-1-phenylphosphinan-4-one is CC1(C)CC(=O)CC(C)(C)P1c1ccccc1.
What is the InChIKey of 2,2,6,6-tetramethyl-1-phenylphosphinan-4-one?
The InChIKey is OVNKJCJEHZIBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21OP/c1-14(2)10-12(16)11-15(3,4)17(14)13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-1-phenylphosphinan-4-one?
2,2,6,6-tetramethyl-1-phenylphosphinan-4-one has a molecular weight of 248.31 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-phenylphosphinan-4-one is sourced from PubChem (CID 4130459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).