3-tert-butyl-2-(2,6-ditert-butyl-4-methylphenoxy)-1,3,2-oxazaphospholidine

C21H36NO2P — CID 14228111

IUPAC3-tert-butyl-2-(2,6-ditert-butyl-4-methylphenoxy)-1,3,2-oxazaphospholidine
SMILESCc1cc(C(C)(C)C)c(OP2OCCN2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C21H36NO2P/c1-15-13-16(19(2,3)4)18(17(14-15)20(5,6)7)24-25-22(11-12-23-25)21(8,9)10/h13-14H,11-12H2,1-10H3
InChIKeyZGAFSOCSECIGBN-UHFFFAOYSA-N
MW365.50 g/mol
LogP6.33
Rot. Bonds2

About 3-tert-butyl-2-(2,6-ditert-butyl-4-methylphenoxy)-1,3,2-oxazaphospholidine

3-tert-butyl-2-(2,6-ditert-butyl-4-methylphenoxy)-1,3,2-oxazaphospholidine (PubChem CID 14228111) has the molecular formula C21H36NO2P and a molecular weight of 365.50 g/mol. Its IUPAC name is 3-tert-butyl-2-(2,6-ditert-butyl-4-methylphenoxy)-1,3,2-oxazaphospholidine.

Molecular Properties

Compound Name3-tert-butyl-2-(2,6-ditert-butyl-4-methylphenoxy)-1,3,2-oxazaphospholidine
PubChem CID14228111
Molecular FormulaC21H36NO2P
Molecular Weight365.50 g/mol
Exact Mass365.25
IUPAC Name3-tert-butyl-2-(2,6-ditert-butyl-4-methylphenoxy)-1,3,2-oxazaphospholidine
SMILESCc1cc(C(C)(C)C)c(OP2OCCN2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C21H36NO2P/c1-15-13-16(19(2,3)4)18(17(14-15)20(5,6)7)24-25-22(11-12-23-25)21(8,9)10/h13-14H,11-12H2,1-10H3
InChIKeyZGAFSOCSECIGBN-UHFFFAOYSA-N
XLogP6.33
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-(2,6-ditert-butyl-4-methylphenoxy)-1,3,2-oxazaphospholidine?
The IUPAC name of 3-tert-butyl-2-(2,6-ditert-butyl-4-methylphenoxy)-1,3,2-oxazaphospholidine (CID 14228111) is 3-tert-butyl-2-(2,6-ditert-butyl-4-methylphenoxy)-1,3,2-oxazaphospholidine.
What is the SMILES notation for 3-tert-butyl-2-(2,6-ditert-butyl-4-methylphenoxy)-1,3,2-oxazaphospholidine?
The canonical SMILES for 3-tert-butyl-2-(2,6-ditert-butyl-4-methylphenoxy)-1,3,2-oxazaphospholidine is Cc1cc(C(C)(C)C)c(OP2OCCN2C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-2-(2,6-ditert-butyl-4-methylphenoxy)-1,3,2-oxazaphospholidine?
The InChIKey is ZGAFSOCSECIGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36NO2P/c1-15-13-16(19(2,3)4)18(17(14-15)20(5,6)7)24-25-22(11-12-23-25)21(8,9)10/h13-14H,11-12H2,1-10H3.
What are the key properties of 3-tert-butyl-2-(2,6-ditert-butyl-4-methylphenoxy)-1,3,2-oxazaphospholidine?
3-tert-butyl-2-(2,6-ditert-butyl-4-methylphenoxy)-1,3,2-oxazaphospholidine has a molecular weight of 365.50 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-(2,6-ditert-butyl-4-methylphenoxy)-1,3,2-oxazaphospholidine is sourced from PubChem (CID 14228111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).