tris[4-methyl-2-(2-methylbutan-2-yl)phenyl] phosphite

C36H51O3P — CID 66925984

IUPACtris[4-methyl-2-(2-methylbutan-2-yl)phenyl] phosphite
SMILESCCC(C)(C)c1cc(C)ccc1OP(Oc1ccc(C)cc1C(C)(C)CC)Oc1ccc(C)cc1C(C)(C)CC
InChIInChI=1S/C36H51O3P/c1-13-34(7,8)28-22-25(4)16-19-31(28)37-40(38-32-20-17-26(5)23-29(32)35(9,10)14-2)39-33-21-18-27(6)24-30(33)36(11,12)15-3/h16-24H,13-15H2,1-12H3
InChIKeyPIBKEYOEGUXUPI-UHFFFAOYSA-N
MW562.78 g/mol
LogP11.44
Rot. Bonds12

About tris[4-methyl-2-(2-methylbutan-2-yl)phenyl] phosphite

tris[4-methyl-2-(2-methylbutan-2-yl)phenyl] phosphite (PubChem CID 66925984) has the molecular formula C36H51O3P and a molecular weight of 562.78 g/mol. Its IUPAC name is tris[4-methyl-2-(2-methylbutan-2-yl)phenyl] phosphite.

Molecular Properties

Compound Nametris[4-methyl-2-(2-methylbutan-2-yl)phenyl] phosphite
PubChem CID66925984
Molecular FormulaC36H51O3P
Molecular Weight562.78 g/mol
Exact Mass562.36
IUPAC Nametris[4-methyl-2-(2-methylbutan-2-yl)phenyl] phosphite
SMILESCCC(C)(C)c1cc(C)ccc1OP(Oc1ccc(C)cc1C(C)(C)CC)Oc1ccc(C)cc1C(C)(C)CC
InChIInChI=1S/C36H51O3P/c1-13-34(7,8)28-22-25(4)16-19-31(28)37-40(38-32-20-17-26(5)23-29(32)35(9,10)14-2)39-33-21-18-27(6)24-30(33)36(11,12)15-3/h16-24H,13-15H2,1-12H3
InChIKeyPIBKEYOEGUXUPI-UHFFFAOYSA-N
XLogP11.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.78
LogP ≤ 511.44
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[4-methyl-2-(2-methylbutan-2-yl)phenyl] phosphite?
The IUPAC name of tris[4-methyl-2-(2-methylbutan-2-yl)phenyl] phosphite (CID 66925984) is tris[4-methyl-2-(2-methylbutan-2-yl)phenyl] phosphite.
What is the SMILES notation for tris[4-methyl-2-(2-methylbutan-2-yl)phenyl] phosphite?
The canonical SMILES for tris[4-methyl-2-(2-methylbutan-2-yl)phenyl] phosphite is CCC(C)(C)c1cc(C)ccc1OP(Oc1ccc(C)cc1C(C)(C)CC)Oc1ccc(C)cc1C(C)(C)CC.
What is the InChIKey of tris[4-methyl-2-(2-methylbutan-2-yl)phenyl] phosphite?
The InChIKey is PIBKEYOEGUXUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H51O3P/c1-13-34(7,8)28-22-25(4)16-19-31(28)37-40(38-32-20-17-26(5)23-29(32)35(9,10)14-2)39-33-21-18-27(6)24-30(33)36(11,12)15-3/h16-24H,13-15H2,1-12H3.
What are the key properties of tris[4-methyl-2-(2-methylbutan-2-yl)phenyl] phosphite?
tris[4-methyl-2-(2-methylbutan-2-yl)phenyl] phosphite has a molecular weight of 562.78 g/mol, XLogP of 11.44, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris[4-methyl-2-(2-methylbutan-2-yl)phenyl] phosphite is sourced from PubChem (CID 66925984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).