bis(2,6-ditert-butylphenyl) 2,2-dimethylpropyl phosphite

C33H53O3P — CID 91582940

IUPACbis(2,6-ditert-butylphenyl) 2,2-dimethylpropyl phosphite
SMILESCC(C)(C)COP(Oc1c(C(C)(C)C)cccc1C(C)(C)C)Oc1c(C(C)(C)C)cccc1C(C)(C)C
InChIInChI=1S/C33H53O3P/c1-29(2,3)22-34-37(35-27-23(30(4,5)6)18-16-19-24(27)31(7,8)9)36-28-25(32(10,11)12)20-17-21-26(28)33(13,14)15/h16-21H,22H2,1-15H3
InChIKeyHOIRIXSESPUMES-UHFFFAOYSA-N
MW528.76 g/mol
LogP10.62
Rot. Bonds6

About bis(2,6-ditert-butylphenyl) 2,2-dimethylpropyl phosphite

bis(2,6-ditert-butylphenyl) 2,2-dimethylpropyl phosphite (PubChem CID 91582940) has the molecular formula C33H53O3P and a molecular weight of 528.76 g/mol. Its IUPAC name is bis(2,6-ditert-butylphenyl) 2,2-dimethylpropyl phosphite.

Molecular Properties

Compound Namebis(2,6-ditert-butylphenyl) 2,2-dimethylpropyl phosphite
PubChem CID91582940
Molecular FormulaC33H53O3P
Molecular Weight528.76 g/mol
Exact Mass528.37
IUPAC Namebis(2,6-ditert-butylphenyl) 2,2-dimethylpropyl phosphite
SMILESCC(C)(C)COP(Oc1c(C(C)(C)C)cccc1C(C)(C)C)Oc1c(C(C)(C)C)cccc1C(C)(C)C
InChIInChI=1S/C33H53O3P/c1-29(2,3)22-34-37(35-27-23(30(4,5)6)18-16-19-24(27)31(7,8)9)36-28-25(32(10,11)12)20-17-21-26(28)33(13,14)15/h16-21H,22H2,1-15H3
InChIKeyHOIRIXSESPUMES-UHFFFAOYSA-N
XLogP10.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.76
LogP ≤ 510.62
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 bis(2,6-ditert-butylphenyl) 2,2-dimethylpropyl phosphite?
The IUPAC name of bis(2,6-ditert-butylphenyl) 2,2-dimethylpropyl phosphite (CID 91582940) is bis(2,6-ditert-butylphenyl) 2,2-dimethylpropyl phosphite.
What is the SMILES notation for bis(2,6-ditert-butylphenyl) 2,2-dimethylpropyl phosphite?
The canonical SMILES for bis(2,6-ditert-butylphenyl) 2,2-dimethylpropyl phosphite is CC(C)(C)COP(Oc1c(C(C)(C)C)cccc1C(C)(C)C)Oc1c(C(C)(C)C)cccc1C(C)(C)C.
What is the InChIKey of bis(2,6-ditert-butylphenyl) 2,2-dimethylpropyl phosphite?
The InChIKey is HOIRIXSESPUMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H53O3P/c1-29(2,3)22-34-37(35-27-23(30(4,5)6)18-16-19-24(27)31(7,8)9)36-28-25(32(10,11)12)20-17-21-26(28)33(13,14)15/h16-21H,22H2,1-15H3.
What are the key properties of bis(2,6-ditert-butylphenyl) 2,2-dimethylpropyl phosphite?
bis(2,6-ditert-butylphenyl) 2,2-dimethylpropyl phosphite has a molecular weight of 528.76 g/mol, XLogP of 10.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-ditert-butylphenyl) 2,2-dimethylpropyl phosphite is sourced from PubChem (CID 91582940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).