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

C24H42NO2P — CID 14228112

IUPAC3-tert-butyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-oxazaphospholidine
SMILESCC(C)(C)c1cc(C(C)(C)C)c(OP2OCCN2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C24H42NO2P/c1-21(2,3)17-15-18(22(4,5)6)20(19(16-17)23(7,8)9)27-28-25(13-14-26-28)24(10,11)12/h15-16H,13-14H2,1-12H3
InChIKeyBTAZHVWZVHSVFV-UHFFFAOYSA-N
MW407.58 g/mol
LogP7.32
Rot. Bonds2

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

3-tert-butyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-oxazaphospholidine (PubChem CID 14228112) has the molecular formula C24H42NO2P and a molecular weight of 407.58 g/mol. Its IUPAC name is 3-tert-butyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-oxazaphospholidine.

Molecular Properties

Compound Name3-tert-butyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-oxazaphospholidine
PubChem CID14228112
Molecular FormulaC24H42NO2P
Molecular Weight407.58 g/mol
Exact Mass407.30
IUPAC Name3-tert-butyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-oxazaphospholidine
SMILESCC(C)(C)c1cc(C(C)(C)C)c(OP2OCCN2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C24H42NO2P/c1-21(2,3)17-15-18(22(4,5)6)20(19(16-17)23(7,8)9)27-28-25(13-14-26-28)24(10,11)12/h15-16H,13-14H2,1-12H3
InChIKeyBTAZHVWZVHSVFV-UHFFFAOYSA-N
XLogP7.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.58
LogP ≤ 57.32
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-tritert-butylphenoxy)-1,3,2-oxazaphospholidine?
The IUPAC name of 3-tert-butyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-oxazaphospholidine (CID 14228112) is 3-tert-butyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-oxazaphospholidine.
What is the SMILES notation for 3-tert-butyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-oxazaphospholidine?
The canonical SMILES for 3-tert-butyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-oxazaphospholidine is CC(C)(C)c1cc(C(C)(C)C)c(OP2OCCN2C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-oxazaphospholidine?
The InChIKey is BTAZHVWZVHSVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42NO2P/c1-21(2,3)17-15-18(22(4,5)6)20(19(16-17)23(7,8)9)27-28-25(13-14-26-28)24(10,11)12/h15-16H,13-14H2,1-12H3.
What are the key properties of 3-tert-butyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-oxazaphospholidine?
3-tert-butyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-oxazaphospholidine has a molecular weight of 407.58 g/mol, XLogP of 7.32, 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-tritert-butylphenoxy)-1,3,2-oxazaphospholidine is sourced from PubChem (CID 14228112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).