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

C41H68N2O4P2 — CID 14228123

IUPAC3-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
SMILESCC(C)(C)c1cc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2OP2OCCN2C(C)(C)C)c(OP2OCCN2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C41H68N2O4P2/c1-36(2,3)30-24-28(34(32(26-30)38(7,8)9)46-48-42(19-21-44-48)40(13,14)15)23-29-25-31(37(4,5)6)27-33(39(10,11)12)35(29)47-49-43(20-22-45-49)41(16,17)18/h24-27H,19-23H2,1-18H3
InChIKeyGDUKBXPUVTXOKH-UHFFFAOYSA-N
MW714.95 g/mol
LogP11.94
Rot. Bonds6

About 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

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 (PubChem CID 14228123) has the molecular formula C41H68N2O4P2 and a molecular weight of 714.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID14228123
Molecular FormulaC41H68N2O4P2
Molecular Weight714.95 g/mol
Exact Mass714.47
IUPAC Name3-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
SMILESCC(C)(C)c1cc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2OP2OCCN2C(C)(C)C)c(OP2OCCN2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C41H68N2O4P2/c1-36(2,3)30-24-28(34(32(26-30)38(7,8)9)46-48-42(19-21-44-48)40(13,14)15)23-29-25-31(37(4,5)6)27-33(39(10,11)12)35(29)47-49-43(20-22-45-49)41(16,17)18/h24-27H,19-23H2,1-18H3
InChIKeyGDUKBXPUVTXOKH-UHFFFAOYSA-N
XLogP11.94
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.95
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
2-methyl-N-[2-[(1,3,7,9-tetratert-butyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]ethyl]propan-2-amine
CID 23414663
2-methyl-N-[2-[(1,3,7,9-tetratert-butyl-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]ethyl]propan-2-amine
CID 23414664
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-tritert-butylphenoxy)-1,3,2-oxazaphospholidine
CID 14228112
3-Tert-butyl-2-(2,4-ditert-butylphenoxy)-1,3,2-oxazaphospholidine
CID 14228113
3-Tert-butyl-2-(2,4,6-tritert-butylphenoxy)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]oxazaphosphole
CID 14228116
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]sulfanylphenoxy]-1,3,2-oxazaphospholidine
CID 14228124
3-Tert-butyl-2-[2-[2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine
CID 14228125
2,8-Bis(2,4-ditert-butylphenoxy)-1-(2-methylpropyl)-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane
CID 19742184
2,8-Bis(2,4-ditert-butylphenoxy)-1-ethyl-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane
CID 19742185

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2OP2OCCN2C(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-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?
The InChIKey is GDUKBXPUVTXOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H68N2O4P2/c1-36(2,3)30-24-28(34(32(26-30)38(7,8)9)46-48-42(19-21-44-48)40(13,14)15)23-29-25-31(37(4,5)6)27-33(39(10,11)12)35(29)47-49-43(20-22-45-49)41(16,17)18/h24-27H,19-23H2,1-18H3.
What are the key properties of 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?
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 has a molecular weight of 714.95 g/mol, XLogP of 11.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 14228123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).