tris(2-tert-butyl-4-methylphenyl) phosphite

C33H45O3P — CID 571405

IUPACtris(2-tert-butyl-4-methylphenyl) phosphite
SMILESCc1ccc(OP(Oc2ccc(C)cc2C(C)(C)C)Oc2ccc(C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C33H45O3P/c1-22-13-16-28(25(19-22)31(4,5)6)34-37(35-29-17-14-23(2)20-26(29)32(7,8)9)36-30-18-15-24(3)21-27(30)33(10,11)12/h13-21H,1-12H3
InChIKeyHBYRZSMDBQVSHO-UHFFFAOYSA-N
MW520.69 g/mol
LogP10.27
Rot. Bonds6

About tris(2-tert-butyl-4-methylphenyl) phosphite

tris(2-tert-butyl-4-methylphenyl) phosphite (PubChem CID 571405) has the molecular formula C33H45O3P and a molecular weight of 520.69 g/mol. Its IUPAC name is tris(2-tert-butyl-4-methylphenyl) phosphite.

Molecular Properties

Compound Nametris(2-tert-butyl-4-methylphenyl) phosphite
PubChem CID571405
Molecular FormulaC33H45O3P
Molecular Weight520.69 g/mol
Exact Mass520.31
IUPAC Nametris(2-tert-butyl-4-methylphenyl) phosphite
SMILESCc1ccc(OP(Oc2ccc(C)cc2C(C)(C)C)Oc2ccc(C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C33H45O3P/c1-22-13-16-28(25(19-22)31(4,5)6)34-37(35-29-17-14-23(2)20-26(29)32(7,8)9)36-30-18-15-24(3)21-27(30)33(10,11)12/h13-21H,1-12H3
InChIKeyHBYRZSMDBQVSHO-UHFFFAOYSA-N
XLogP10.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.69
LogP ≤ 510.27
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 tris(2-tert-butyl-4-methylphenyl) phosphite?
The IUPAC name of tris(2-tert-butyl-4-methylphenyl) phosphite (CID 571405) is tris(2-tert-butyl-4-methylphenyl) phosphite.
What is the SMILES notation for tris(2-tert-butyl-4-methylphenyl) phosphite?
The canonical SMILES for tris(2-tert-butyl-4-methylphenyl) phosphite is Cc1ccc(OP(Oc2ccc(C)cc2C(C)(C)C)Oc2ccc(C)cc2C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of tris(2-tert-butyl-4-methylphenyl) phosphite?
The InChIKey is HBYRZSMDBQVSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45O3P/c1-22-13-16-28(25(19-22)31(4,5)6)34-37(35-29-17-14-23(2)20-26(29)32(7,8)9)36-30-18-15-24(3)21-27(30)33(10,11)12/h13-21H,1-12H3.
What are the key properties of tris(2-tert-butyl-4-methylphenyl) phosphite?
tris(2-tert-butyl-4-methylphenyl) phosphite has a molecular weight of 520.69 g/mol, XLogP of 10.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-tert-butyl-4-methylphenyl) phosphite is sourced from PubChem (CID 571405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).