tris[(2,2,6,6-tetramethylpiperidin-1-yl)oxy] phosphite

C27H54N3O6P — CID 22420378

IUPACtris[(2,2,6,6-tetramethylpiperidin-1-yl)oxy] phosphite
SMILESCC1(C)CCCC(C)(C)N1OOP(OON1C(C)(C)CCCC1(C)C)OON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C27H54N3O6P/c1-22(2)16-13-17-23(3,4)28(22)31-34-37(35-32-29-24(5,6)18-14-19-25(29,7)8)36-33-30-26(9,10)20-15-21-27(30,11)12/h13-21H2,1-12H3
InChIKeyWPRNSVPBMNJRBQ-UHFFFAOYSA-N
MW547.72 g/mol
LogP7.93
Rot. Bonds9

About tris[(2,2,6,6-tetramethylpiperidin-1-yl)oxy] phosphite

tris[(2,2,6,6-tetramethylpiperidin-1-yl)oxy] phosphite (PubChem CID 22420378) has the molecular formula C27H54N3O6P and a molecular weight of 547.72 g/mol. Its IUPAC name is tris[(2,2,6,6-tetramethylpiperidin-1-yl)oxy] phosphite.

Molecular Properties

Compound Nametris[(2,2,6,6-tetramethylpiperidin-1-yl)oxy] phosphite
PubChem CID22420378
Molecular FormulaC27H54N3O6P
Molecular Weight547.72 g/mol
Exact Mass547.38
IUPAC Nametris[(2,2,6,6-tetramethylpiperidin-1-yl)oxy] phosphite
SMILESCC1(C)CCCC(C)(C)N1OOP(OON1C(C)(C)CCCC1(C)C)OON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C27H54N3O6P/c1-22(2)16-13-17-23(3,4)28(22)31-34-37(35-32-29-24(5,6)18-14-19-25(29,7)8)36-33-30-26(9,10)20-15-21-27(30,11)12/h13-21H2,1-12H3
InChIKeyWPRNSVPBMNJRBQ-UHFFFAOYSA-N
XLogP7.93
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.72
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris[(2,2,6,6-tetramethylpiperidin-1-yl)oxy] phosphite?
The IUPAC name of tris[(2,2,6,6-tetramethylpiperidin-1-yl)oxy] phosphite (CID 22420378) is tris[(2,2,6,6-tetramethylpiperidin-1-yl)oxy] phosphite.
What is the SMILES notation for tris[(2,2,6,6-tetramethylpiperidin-1-yl)oxy] phosphite?
The canonical SMILES for tris[(2,2,6,6-tetramethylpiperidin-1-yl)oxy] phosphite is CC1(C)CCCC(C)(C)N1OOP(OON1C(C)(C)CCCC1(C)C)OON1C(C)(C)CCCC1(C)C.
What is the InChIKey of tris[(2,2,6,6-tetramethylpiperidin-1-yl)oxy] phosphite?
The InChIKey is WPRNSVPBMNJRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N3O6P/c1-22(2)16-13-17-23(3,4)28(22)31-34-37(35-32-29-24(5,6)18-14-19-25(29,7)8)36-33-30-26(9,10)20-15-21-27(30,11)12/h13-21H2,1-12H3.
What are the key properties of tris[(2,2,6,6-tetramethylpiperidin-1-yl)oxy] phosphite?
tris[(2,2,6,6-tetramethylpiperidin-1-yl)oxy] phosphite has a molecular weight of 547.72 g/mol, XLogP of 7.93, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(2,2,6,6-tetramethylpiperidin-1-yl)oxy] phosphite is sourced from PubChem (CID 22420378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).