2,2,6,6-tetramethyl-1-(1-phenylethyl)phosphinan-4-one

C17H25OP — CID 134885986

IUPAC2,2,6,6-tetramethyl-1-(1-phenylethyl)phosphinan-4-one
SMILESCC(c1ccccc1)P1C(C)(C)CC(=O)CC1(C)C
InChIInChI=1S/C17H25OP/c1-13(14-9-7-6-8-10-14)19-16(2,3)11-15(18)12-17(19,4)5/h6-10,13H,11-12H2,1-5H3
InChIKeyULIKHHUXZNEMTM-UHFFFAOYSA-N
MW276.36 g/mol
LogP5.15
Rot. Bonds2

About 2,2,6,6-tetramethyl-1-(1-phenylethyl)phosphinan-4-one

2,2,6,6-tetramethyl-1-(1-phenylethyl)phosphinan-4-one (PubChem CID 134885986) has the molecular formula C17H25OP and a molecular weight of 276.36 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-(1-phenylethyl)phosphinan-4-one.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-(1-phenylethyl)phosphinan-4-one
PubChem CID134885986
Molecular FormulaC17H25OP
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name2,2,6,6-tetramethyl-1-(1-phenylethyl)phosphinan-4-one
SMILESCC(c1ccccc1)P1C(C)(C)CC(=O)CC1(C)C
InChIInChI=1S/C17H25OP/c1-13(14-9-7-6-8-10-14)19-16(2,3)11-15(18)12-17(19,4)5/h6-10,13H,11-12H2,1-5H3
InChIKeyULIKHHUXZNEMTM-UHFFFAOYSA-N
XLogP5.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.36
LogP ≤ 55.15
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-(1-phenylethyl)phosphinan-4-one?
The IUPAC name of 2,2,6,6-tetramethyl-1-(1-phenylethyl)phosphinan-4-one (CID 134885986) is 2,2,6,6-tetramethyl-1-(1-phenylethyl)phosphinan-4-one.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-(1-phenylethyl)phosphinan-4-one?
The canonical SMILES for 2,2,6,6-tetramethyl-1-(1-phenylethyl)phosphinan-4-one is CC(c1ccccc1)P1C(C)(C)CC(=O)CC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-1-(1-phenylethyl)phosphinan-4-one?
The InChIKey is ULIKHHUXZNEMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25OP/c1-13(14-9-7-6-8-10-14)19-16(2,3)11-15(18)12-17(19,4)5/h6-10,13H,11-12H2,1-5H3.
What are the key properties of 2,2,6,6-tetramethyl-1-(1-phenylethyl)phosphinan-4-one?
2,2,6,6-tetramethyl-1-(1-phenylethyl)phosphinan-4-one has a molecular weight of 276.36 g/mol, XLogP of 5.15, 2 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-(1-phenylethyl)phosphinan-4-one is sourced from PubChem (CID 134885986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).