[2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]phenyl] (5-ethyl-2-propan-2-ylphenyl) (5-methyl-2-propan-2-ylphenyl) phosphite

C48H60O6P2 — CID 142850621

About [2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]phenyl] (5-ethyl-2-propan-2-ylphenyl) (5-methyl-2-propan-2-ylphenyl) phosphite

[2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]phenyl] (5-ethyl-2-propan-2-ylphenyl) (5-methyl-2-propan-2-ylphenyl) phosphite (PubChem CID 142850621) has the molecular formula C48H60O6P2 and a molecular weight of 794.95 g/mol. Its IUPAC name is [2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]phenyl] (5-ethyl-2-propan-2-ylphenyl) (5-methyl-2-propan-2-ylphenyl) phosphite.

Molecular Properties

• Compound Name: [2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]phenyl] (5-ethyl-2-propan-2-ylphenyl) (5-methyl-2-propan-2-ylphenyl) phosphite
• PubChem CID: 142850621
• Molecular Formula: C48H60O6P2
• Molecular Weight: 794.95 g/mol
• Exact Mass: 794.39
• IUPAC Name: [2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]phenyl] (5-ethyl-2-propan-2-ylphenyl) (5-methyl-2-propan-2-ylphenyl) phosphite
• SMILES: CCc1ccc(C(C)C)c(OP(Oc2ccccc2COP(Oc2cc(C)ccc2C(C)C)Oc2cc(C)ccc2C(C)C)Oc2cc(C)ccc2C(C)C)c1
• InChI: InChI=1S/C48H60O6P2/c1-13-38-21-25-43(34(8)9)48(29-38)54-56(53-47-28-37(12)20-24-42(47)33(6)7)50-44-17-15-14-16-39(44)30-49-55(51-45-26-35(10)18-22-40(45)31(2)3)52-46-27-36(11)19-23-41(46)32(4)5/h14-29,31-34H,13,30H2,1-12H3
• InChIKey: DBISKWUIHVPRMP-UHFFFAOYSA-N
• XLogP: 15.33
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.95
LogP ≤ 5	15.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]phenyl] (5-ethyl-2-propan-2-ylphenyl) (5-methyl-2-propan-2-ylphenyl) phosphite?

The IUPAC name of [2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]phenyl] (5-ethyl-2-propan-2-ylphenyl) (5-methyl-2-propan-2-ylphenyl) phosphite (CID 142850621) is [2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]phenyl] (5-ethyl-2-propan-2-ylphenyl) (5-methyl-2-propan-2-ylphenyl) phosphite.

What is the SMILES notation for [2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]phenyl] (5-ethyl-2-propan-2-ylphenyl) (5-methyl-2-propan-2-ylphenyl) phosphite?

The canonical SMILES for [2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]phenyl] (5-ethyl-2-propan-2-ylphenyl) (5-methyl-2-propan-2-ylphenyl) phosphite is CCc1ccc(C(C)C)c(OP(Oc2ccccc2COP(Oc2cc(C)ccc2C(C)C)Oc2cc(C)ccc2C(C)C)Oc2cc(C)ccc2C(C)C)c1.

What is the InChIKey of [2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]phenyl] (5-ethyl-2-propan-2-ylphenyl) (5-methyl-2-propan-2-ylphenyl) phosphite?

The InChIKey is DBISKWUIHVPRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H60O6P2/c1-13-38-21-25-43(34(8)9)48(29-38)54-56(53-47-28-37(12)20-24-42(47)33(6)7)50-44-17-15-14-16-39(44)30-49-55(51-45-26-35(10)18-22-40(45)31(2)3)52-46-27-36(11)19-23-41(46)32(4)5/h14-29,31-34H,13,30H2,1-12H3.

What are the key properties of [2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]phenyl] (5-ethyl-2-propan-2-ylphenyl) (5-methyl-2-propan-2-ylphenyl) phosphite?

[2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]phenyl] (5-ethyl-2-propan-2-ylphenyl) (5-methyl-2-propan-2-ylphenyl) phosphite has a molecular weight of 794.95 g/mol, XLogP of 15.33, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]phenyl] (5-ethyl-2-propan-2-ylphenyl) (5-methyl-2-propan-2-ylphenyl) phosphite is sourced from PubChem (CID 142850621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).