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

C15H24NO2P — CID 14228110

IUPAC3-tert-butyl-2-(2,4,6-trimethylphenoxy)-1,3,2-oxazaphospholidine
SMILESCc1cc(C)c(OP2OCCN2C(C)(C)C)c(C)c1
InChIInChI=1S/C15H24NO2P/c1-11-9-12(2)14(13(3)10-11)18-19-16(7-8-17-19)15(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyOQVIDRMJONAAAR-UHFFFAOYSA-N
MW281.34 g/mol
LogP4.35
Rot. Bonds2

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

3-tert-butyl-2-(2,4,6-trimethylphenoxy)-1,3,2-oxazaphospholidine (PubChem CID 14228110) has the molecular formula C15H24NO2P and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-tert-butyl-2-(2,4,6-trimethylphenoxy)-1,3,2-oxazaphospholidine.

Molecular Properties

Compound Name3-tert-butyl-2-(2,4,6-trimethylphenoxy)-1,3,2-oxazaphospholidine
PubChem CID14228110
Molecular FormulaC15H24NO2P
Molecular Weight281.34 g/mol
Exact Mass281.15
IUPAC Name3-tert-butyl-2-(2,4,6-trimethylphenoxy)-1,3,2-oxazaphospholidine
SMILESCc1cc(C)c(OP2OCCN2C(C)(C)C)c(C)c1
InChIInChI=1S/C15H24NO2P/c1-11-9-12(2)14(13(3)10-11)18-19-16(7-8-17-19)15(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyOQVIDRMJONAAAR-UHFFFAOYSA-N
XLogP4.35
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 54.35
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-(2,4,6-trimethylphenoxy)-1,3,2-oxazaphospholidine?
The IUPAC name of 3-tert-butyl-2-(2,4,6-trimethylphenoxy)-1,3,2-oxazaphospholidine (CID 14228110) is 3-tert-butyl-2-(2,4,6-trimethylphenoxy)-1,3,2-oxazaphospholidine.
What is the SMILES notation for 3-tert-butyl-2-(2,4,6-trimethylphenoxy)-1,3,2-oxazaphospholidine?
The canonical SMILES for 3-tert-butyl-2-(2,4,6-trimethylphenoxy)-1,3,2-oxazaphospholidine is Cc1cc(C)c(OP2OCCN2C(C)(C)C)c(C)c1.
What is the InChIKey of 3-tert-butyl-2-(2,4,6-trimethylphenoxy)-1,3,2-oxazaphospholidine?
The InChIKey is OQVIDRMJONAAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24NO2P/c1-11-9-12(2)14(13(3)10-11)18-19-16(7-8-17-19)15(4,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 3-tert-butyl-2-(2,4,6-trimethylphenoxy)-1,3,2-oxazaphospholidine?
3-tert-butyl-2-(2,4,6-trimethylphenoxy)-1,3,2-oxazaphospholidine has a molecular weight of 281.34 g/mol, XLogP of 4.35, 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-(2,4,6-trimethylphenoxy)-1,3,2-oxazaphospholidine is sourced from PubChem (CID 14228110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).