2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-[methyl(diphenyl)silyl]phosphanyl]phenol

C33H39O2PSi — CID 87862059

IUPAC2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-[methyl(diphenyl)silyl]phosphanyl]phenol
SMILESCC(C)(C)c1cccc(P(c2cccc(C(C)(C)C)c2O)[Si](C)(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C33H39O2PSi/c1-32(2,3)26-20-14-22-28(30(26)34)36(29-23-15-21-27(31(29)35)33(4,5)6)37(7,24-16-10-8-11-17-24)25-18-12-9-13-19-25/h8-23,34-35H,1-7H3
InChIKeyDBZPQIPLOBAKPR-UHFFFAOYSA-N
MW526.73 g/mol
LogP6.52
Rot. Bonds5

About 2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-[methyl(diphenyl)silyl]phosphanyl]phenol

2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-[methyl(diphenyl)silyl]phosphanyl]phenol (PubChem CID 87862059) has the molecular formula C33H39O2PSi and a molecular weight of 526.73 g/mol. Its IUPAC name is 2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-[methyl(diphenyl)silyl]phosphanyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-[methyl(diphenyl)silyl]phosphanyl]phenol
PubChem CID87862059
Molecular FormulaC33H39O2PSi
Molecular Weight526.73 g/mol
Exact Mass526.25
IUPAC Name2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-[methyl(diphenyl)silyl]phosphanyl]phenol
SMILESCC(C)(C)c1cccc(P(c2cccc(C(C)(C)C)c2O)[Si](C)(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C33H39O2PSi/c1-32(2,3)26-20-14-22-28(30(26)34)36(29-23-15-21-27(31(29)35)33(4,5)6)37(7,24-16-10-8-11-17-24)25-18-12-9-13-19-25/h8-23,34-35H,1-7H3
InChIKeyDBZPQIPLOBAKPR-UHFFFAOYSA-N
XLogP6.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.73
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-[methyl(diphenyl)silyl]phosphanyl]phenol?
The IUPAC name of 2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-[methyl(diphenyl)silyl]phosphanyl]phenol (CID 87862059) is 2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-[methyl(diphenyl)silyl]phosphanyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-[methyl(diphenyl)silyl]phosphanyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-[methyl(diphenyl)silyl]phosphanyl]phenol is CC(C)(C)c1cccc(P(c2cccc(C(C)(C)C)c2O)[Si](C)(c2ccccc2)c2ccccc2)c1O.
What is the InChIKey of 2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-[methyl(diphenyl)silyl]phosphanyl]phenol?
The InChIKey is DBZPQIPLOBAKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39O2PSi/c1-32(2,3)26-20-14-22-28(30(26)34)36(29-23-15-21-27(31(29)35)33(4,5)6)37(7,24-16-10-8-11-17-24)25-18-12-9-13-19-25/h8-23,34-35H,1-7H3.
What are the key properties of 2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-[methyl(diphenyl)silyl]phosphanyl]phenol?
2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-[methyl(diphenyl)silyl]phosphanyl]phenol has a molecular weight of 526.73 g/mol, XLogP of 6.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-[methyl(diphenyl)silyl]phosphanyl]phenol is sourced from PubChem (CID 87862059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).