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

C20H34NO2P — CID 14228113

IUPAC3-tert-butyl-2-(2,4-ditert-butylphenoxy)-1,3,2-oxazaphospholidine
SMILESCC(C)(C)c1ccc(OP2OCCN2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C20H34NO2P/c1-18(2,3)15-10-11-17(16(14-15)19(4,5)6)23-24-21(12-13-22-24)20(7,8)9/h10-11,14H,12-13H2,1-9H3
InChIKeyZJWFIBHUHPVDOX-UHFFFAOYSA-N
MW351.47 g/mol
LogP6.02
Rot. Bonds2

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

3-tert-butyl-2-(2,4-ditert-butylphenoxy)-1,3,2-oxazaphospholidine (PubChem CID 14228113) has the molecular formula C20H34NO2P and a molecular weight of 351.47 g/mol. Its IUPAC name is 3-tert-butyl-2-(2,4-ditert-butylphenoxy)-1,3,2-oxazaphospholidine.

Molecular Properties

Compound Name3-tert-butyl-2-(2,4-ditert-butylphenoxy)-1,3,2-oxazaphospholidine
PubChem CID14228113
Molecular FormulaC20H34NO2P
Molecular Weight351.47 g/mol
Exact Mass351.23
IUPAC Name3-tert-butyl-2-(2,4-ditert-butylphenoxy)-1,3,2-oxazaphospholidine
SMILESCC(C)(C)c1ccc(OP2OCCN2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C20H34NO2P/c1-18(2,3)15-10-11-17(16(14-15)19(4,5)6)23-24-21(12-13-22-24)20(7,8)9/h10-11,14H,12-13H2,1-9H3
InChIKeyZJWFIBHUHPVDOX-UHFFFAOYSA-N
XLogP6.02
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-2-(4-methyl-2-propan-2-ylphenoxy)-4-(2-methylpropyl)-2-sulfanylidene-1,3,2lambda5-oxazaphospholidine
CID 76312986
(4S)-4-methyl-2-(4-methyl-2-propan-2-ylphenoxy)-2-sulfanylidene-1,3,2lambda5-oxazaphospholidine
CID 76323856
(4S)-2-(4-methyl-2-propan-2-ylphenoxy)-4-propan-2-yl-2-sulfanylidene-1,3,2lambda5-oxazaphospholidine
CID 76334688
(4S)-4-[(2S)-butan-2-yl]-2-(4-methyl-2-propan-2-ylphenoxy)-2-sulfanylidene-1,3,2lambda5-oxazaphospholidine
CID 76334691
3-tert-Butyl-2-(2,6-di-tert-butyl-4-methylphenoxy)-1,3,2-oxazaphospholidine
CID 14228111
3-Tert-butyl-2-[2,6-ditert-butyl-4-[[3,5-ditert-butyl-4-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]methyl]phenoxy]-1,3,2-oxazaphospholidine
CID 14228118
3-Tert-butyl-2-[2,4-ditert-butyl-6-[[3,5-ditert-butyl-2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]methyl]phenoxy]-1,3,2-oxazaphospholidine
CID 14228123
3-Tert-butyl-2-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine
CID 14228127
3-Tert-butyl-2-(2,4,6-trimethylphenoxy)-1,3,2-oxazaphospholidine
CID 14228110
3-Tert-butyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-oxazaphospholidine
CID 14228112
Octadecyl 3-[3,5-ditert-butyl-4-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]propanoate
CID 14228115
3-Tert-butyl-2-(2,4,6-tritert-butylphenoxy)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]oxazaphosphole
CID 14228116

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-(2,4-ditert-butylphenoxy)-1,3,2-oxazaphospholidine?
The IUPAC name of 3-tert-butyl-2-(2,4-ditert-butylphenoxy)-1,3,2-oxazaphospholidine (CID 14228113) is 3-tert-butyl-2-(2,4-ditert-butylphenoxy)-1,3,2-oxazaphospholidine.
What is the SMILES notation for 3-tert-butyl-2-(2,4-ditert-butylphenoxy)-1,3,2-oxazaphospholidine?
The canonical SMILES for 3-tert-butyl-2-(2,4-ditert-butylphenoxy)-1,3,2-oxazaphospholidine is CC(C)(C)c1ccc(OP2OCCN2C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-2-(2,4-ditert-butylphenoxy)-1,3,2-oxazaphospholidine?
The InChIKey is ZJWFIBHUHPVDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34NO2P/c1-18(2,3)15-10-11-17(16(14-15)19(4,5)6)23-24-21(12-13-22-24)20(7,8)9/h10-11,14H,12-13H2,1-9H3.
What are the key properties of 3-tert-butyl-2-(2,4-ditert-butylphenoxy)-1,3,2-oxazaphospholidine?
3-tert-butyl-2-(2,4-ditert-butylphenoxy)-1,3,2-oxazaphospholidine has a molecular weight of 351.47 g/mol, XLogP of 6.02, 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-ditert-butylphenoxy)-1,3,2-oxazaphospholidine is sourced from PubChem (CID 14228113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).