bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite

C32H51O3P — CID 6850817

IUPACbis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite
SMILESCCOP(Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C)Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C32H51O3P/c1-16-33-36(34-27-21(2)17-23(29(4,5)6)19-25(27)31(10,11)12)35-28-22(3)18-24(30(7,8)9)20-26(28)32(13,14)15/h17-20H,16H2,1-15H3
InChIKeyZEFSGHVBJCEKAZ-UHFFFAOYSA-N
MW514.73 g/mol
LogP10.21
Rot. Bonds6

About bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite

bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite (PubChem CID 6850817) has the molecular formula C32H51O3P and a molecular weight of 514.73 g/mol. Its IUPAC name is bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite.

Molecular Properties

Compound Namebis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite
PubChem CID6850817
Molecular FormulaC32H51O3P
Molecular Weight514.73 g/mol
Exact Mass514.36
IUPAC Namebis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite
SMILESCCOP(Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C)Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C32H51O3P/c1-16-33-36(34-27-21(2)17-23(29(4,5)6)19-25(27)31(10,11)12)35-28-22(3)18-24(30(7,8)9)20-26(28)32(13,14)15/h17-20H,16H2,1-15H3
InChIKeyZEFSGHVBJCEKAZ-UHFFFAOYSA-N
XLogP10.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.73
LogP ≤ 510.21
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(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite?
The IUPAC name of bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite (CID 6850817) is bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite.
What is the SMILES notation for bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite?
The canonical SMILES for bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite is CCOP(Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C)Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite?
The InChIKey is ZEFSGHVBJCEKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H51O3P/c1-16-33-36(34-27-21(2)17-23(29(4,5)6)19-25(27)31(10,11)12)35-28-22(3)18-24(30(7,8)9)20-26(28)32(13,14)15/h17-20H,16H2,1-15H3.
What are the key properties of bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite?
bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite has a molecular weight of 514.73 g/mol, XLogP of 10.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite is sourced from PubChem (CID 6850817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).