2,2,6,6-tetramethyl-1-[2-(2,2,6,6-tetramethyl-4-oxophosphinan-1-yl)phenyl]phosphinan-4-one

C24H36O2P2 — CID 171050822

IUPAC2,2,6,6-tetramethyl-1-[2-(2,2,6,6-tetramethyl-4-oxophosphinan-1-yl)phenyl]phosphinan-4-one
SMILESCC1(C)CC(=O)CC(C)(C)P1c1ccccc1P1C(C)(C)CC(=O)CC1(C)C
InChIInChI=1S/C24H36O2P2/c1-21(2)13-17(25)14-22(3,4)27(21)19-11-9-10-12-20(19)28-23(5,6)15-18(26)16-24(28,7)8/h9-12H,13-16H2,1-8H3
InChIKeyOQPPWERZFRGCAR-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.74
Rot. Bonds2

About 2,2,6,6-tetramethyl-1-[2-(2,2,6,6-tetramethyl-4-oxophosphinan-1-yl)phenyl]phosphinan-4-one

2,2,6,6-tetramethyl-1-[2-(2,2,6,6-tetramethyl-4-oxophosphinan-1-yl)phenyl]phosphinan-4-one (PubChem CID 171050822) has the molecular formula C24H36O2P2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-[2-(2,2,6,6-tetramethyl-4-oxophosphinan-1-yl)phenyl]phosphinan-4-one.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-[2-(2,2,6,6-tetramethyl-4-oxophosphinan-1-yl)phenyl]phosphinan-4-one
PubChem CID171050822
Molecular FormulaC24H36O2P2
Molecular Weight418.50 g/mol
Exact Mass418.22
IUPAC Name2,2,6,6-tetramethyl-1-[2-(2,2,6,6-tetramethyl-4-oxophosphinan-1-yl)phenyl]phosphinan-4-one
SMILESCC1(C)CC(=O)CC(C)(C)P1c1ccccc1P1C(C)(C)CC(=O)CC1(C)C
InChIInChI=1S/C24H36O2P2/c1-21(2)13-17(25)14-22(3,4)27(21)19-11-9-10-12-20(19)28-23(5,6)15-18(26)16-24(28,7)8/h9-12H,13-16H2,1-8H3
InChIKeyOQPPWERZFRGCAR-UHFFFAOYSA-N
XLogP5.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.74
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 2,2,6,6-tetramethyl-1-[2-(2,2,6,6-tetramethyl-4-oxophosphinan-1-yl)phenyl]phosphinan-4-one?
The IUPAC name of 2,2,6,6-tetramethyl-1-[2-(2,2,6,6-tetramethyl-4-oxophosphinan-1-yl)phenyl]phosphinan-4-one (CID 171050822) is 2,2,6,6-tetramethyl-1-[2-(2,2,6,6-tetramethyl-4-oxophosphinan-1-yl)phenyl]phosphinan-4-one.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-[2-(2,2,6,6-tetramethyl-4-oxophosphinan-1-yl)phenyl]phosphinan-4-one?
The canonical SMILES for 2,2,6,6-tetramethyl-1-[2-(2,2,6,6-tetramethyl-4-oxophosphinan-1-yl)phenyl]phosphinan-4-one is CC1(C)CC(=O)CC(C)(C)P1c1ccccc1P1C(C)(C)CC(=O)CC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-1-[2-(2,2,6,6-tetramethyl-4-oxophosphinan-1-yl)phenyl]phosphinan-4-one?
The InChIKey is OQPPWERZFRGCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O2P2/c1-21(2)13-17(25)14-22(3,4)27(21)19-11-9-10-12-20(19)28-23(5,6)15-18(26)16-24(28,7)8/h9-12H,13-16H2,1-8H3.
What are the key properties of 2,2,6,6-tetramethyl-1-[2-(2,2,6,6-tetramethyl-4-oxophosphinan-1-yl)phenyl]phosphinan-4-one?
2,2,6,6-tetramethyl-1-[2-(2,2,6,6-tetramethyl-4-oxophosphinan-1-yl)phenyl]phosphinan-4-one has a molecular weight of 418.50 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-[2-(2,2,6,6-tetramethyl-4-oxophosphinan-1-yl)phenyl]phosphinan-4-one is sourced from PubChem (CID 171050822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).