[3,5-bis[[tert-butyl(diphenyl)silyl]oxy]phenyl]methanol

C39H44O3Si2 — CID 11114774

IUPAC[3,5-bis[[tert-butyl(diphenyl)silyl]oxy]phenyl]methanol
SMILESCC(C)(C)[Si](Oc1cc(CO)cc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H44O3Si2/c1-38(2,3)43(34-19-11-7-12-20-34,35-21-13-8-14-22-35)41-32-27-31(30-40)28-33(29-32)42-44(39(4,5)6,36-23-15-9-16-24-36)37-25-17-10-18-26-37/h7-29,40H,30H2,1-6H3
InChIKeySDDISUZNVYXXHS-UHFFFAOYSA-N
MW616.95 g/mol
LogP7.06
Rot. Bonds9

About [3,5-bis[[tert-butyl(diphenyl)silyl]oxy]phenyl]methanol

[3,5-bis[[tert-butyl(diphenyl)silyl]oxy]phenyl]methanol (PubChem CID 11114774) has the molecular formula C39H44O3Si2 and a molecular weight of 616.95 g/mol. Its IUPAC name is [3,5-bis[[tert-butyl(diphenyl)silyl]oxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-bis[[tert-butyl(diphenyl)silyl]oxy]phenyl]methanol
PubChem CID11114774
Molecular FormulaC39H44O3Si2
Molecular Weight616.95 g/mol
Exact Mass616.28
IUPAC Name[3,5-bis[[tert-butyl(diphenyl)silyl]oxy]phenyl]methanol
SMILESCC(C)(C)[Si](Oc1cc(CO)cc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H44O3Si2/c1-38(2,3)43(34-19-11-7-12-20-34,35-21-13-8-14-22-35)41-32-27-31(30-40)28-33(29-32)42-44(39(4,5)6,36-23-15-9-16-24-36)37-25-17-10-18-26-37/h7-29,40H,30H2,1-6H3
InChIKeySDDISUZNVYXXHS-UHFFFAOYSA-N
XLogP7.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.95
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,5-bis[[tert-butyl(diphenyl)silyl]oxy]phenyl]methanol?
The IUPAC name of [3,5-bis[[tert-butyl(diphenyl)silyl]oxy]phenyl]methanol (CID 11114774) is [3,5-bis[[tert-butyl(diphenyl)silyl]oxy]phenyl]methanol.
What is the SMILES notation for [3,5-bis[[tert-butyl(diphenyl)silyl]oxy]phenyl]methanol?
The canonical SMILES for [3,5-bis[[tert-butyl(diphenyl)silyl]oxy]phenyl]methanol is CC(C)(C)[Si](Oc1cc(CO)cc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [3,5-bis[[tert-butyl(diphenyl)silyl]oxy]phenyl]methanol?
The InChIKey is SDDISUZNVYXXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44O3Si2/c1-38(2,3)43(34-19-11-7-12-20-34,35-21-13-8-14-22-35)41-32-27-31(30-40)28-33(29-32)42-44(39(4,5)6,36-23-15-9-16-24-36)37-25-17-10-18-26-37/h7-29,40H,30H2,1-6H3.
What are the key properties of [3,5-bis[[tert-butyl(diphenyl)silyl]oxy]phenyl]methanol?
[3,5-bis[[tert-butyl(diphenyl)silyl]oxy]phenyl]methanol has a molecular weight of 616.95 g/mol, XLogP of 7.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[[tert-butyl(diphenyl)silyl]oxy]phenyl]methanol is sourced from PubChem (CID 11114774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).