3-tert-butyl-2-[2-[2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine

C24H34N2O4P2 — CID 14228125

IUPAC3-tert-butyl-2-[2-[2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine
SMILESCC(C)(C)N1CCOP1Oc1ccccc1-c1ccccc1OP1OCCN1C(C)(C)C
InChIInChI=1S/C24H34N2O4P2/c1-23(2,3)25-15-17-27-31(25)29-21-13-9-7-11-19(21)20-12-8-10-14-22(20)30-32-26(16-18-28-32)24(4,5)6/h7-14H,15-18H2,1-6H3
InChIKeyDQOKCQIMOPLIBX-UHFFFAOYSA-N
MW476.49 g/mol
LogP6.83
Rot. Bonds5

About 3-tert-butyl-2-[2-[2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine

3-tert-butyl-2-[2-[2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine (PubChem CID 14228125) has the molecular formula C24H34N2O4P2 and a molecular weight of 476.49 g/mol. Its IUPAC name is 3-tert-butyl-2-[2-[2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine.

Molecular Properties

Compound Name3-tert-butyl-2-[2-[2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine
PubChem CID14228125
Molecular FormulaC24H34N2O4P2
Molecular Weight476.49 g/mol
Exact Mass476.20
IUPAC Name3-tert-butyl-2-[2-[2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine
SMILESCC(C)(C)N1CCOP1Oc1ccccc1-c1ccccc1OP1OCCN1C(C)(C)C
InChIInChI=1S/C24H34N2O4P2/c1-23(2,3)25-15-17-27-31(25)29-21-13-9-7-11-19(21)20-12-8-10-14-22(20)30-32-26(16-18-28-32)24(4,5)6/h7-14H,15-18H2,1-6H3
InChIKeyDQOKCQIMOPLIBX-UHFFFAOYSA-N
XLogP6.83
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.49
LogP ≤ 56.83
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-[2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine with MolForge

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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
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-ditert-butylphenoxy)-1,3,2-oxazaphospholidine
CID 14228113
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
N-bis(2-propan-2-ylphenoxy)phosphanyl-N-propan-2-ylpropan-2-amine
CID 54122417
2-[2-[2-[(1,3-Dimethyl-1,3,2-diazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3-dimethyl-1,3,2-diazaphospholidine
CID 145517587
10,18-Dimethyl-8,20-dioxa-10,13,15,18-tetraza-9,19-diphosphapentacyclo[19.4.0.02,7.09,13.015,19]pentacosa-1(25),2,4,6,21,23-hexaene
CID 146962146
Bis[2-[2-bis[di(propan-2-yl)amino]phosphanyloxyphenyl]ethoxy]-oxophosphanium
CID 175218280
bis(2,6-dimethylphenyl) [(2R)-2-pyrrolidin-1-ylbutyl] phosphite
CID 101145756

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-[2-[2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine?
The IUPAC name of 3-tert-butyl-2-[2-[2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine (CID 14228125) is 3-tert-butyl-2-[2-[2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine.
What is the SMILES notation for 3-tert-butyl-2-[2-[2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine?
The canonical SMILES for 3-tert-butyl-2-[2-[2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine is CC(C)(C)N1CCOP1Oc1ccccc1-c1ccccc1OP1OCCN1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-[2-[2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine?
The InChIKey is DQOKCQIMOPLIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4P2/c1-23(2,3)25-15-17-27-31(25)29-21-13-9-7-11-19(21)20-12-8-10-14-22(20)30-32-26(16-18-28-32)24(4,5)6/h7-14H,15-18H2,1-6H3.
What are the key properties of 3-tert-butyl-2-[2-[2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine?
3-tert-butyl-2-[2-[2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine has a molecular weight of 476.49 g/mol, XLogP of 6.83, 5 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-[2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine is sourced from PubChem (CID 14228125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).