4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol

C32H36O2Si — CID 165343479

IUPAC4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol
SMILESCC(C)(C)[Si](OCCCC(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H36O2Si/c1-31(2,3)35(29-21-12-6-13-22-29,30-23-14-7-15-24-30)34-26-16-25-32(33,27-17-8-4-9-18-27)28-19-10-5-11-20-28/h4-15,17-24,33H,16,25-26H2,1-3H3
InChIKeyASDSTCXSTJGWIF-UHFFFAOYSA-N
MW480.72 g/mol
LogP6.28
Rot. Bonds9

About 4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol

4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol (PubChem CID 165343479) has the molecular formula C32H36O2Si and a molecular weight of 480.72 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol
PubChem CID165343479
Molecular FormulaC32H36O2Si
Molecular Weight480.72 g/mol
Exact Mass480.25
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol
SMILESCC(C)(C)[Si](OCCCC(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H36O2Si/c1-31(2,3)35(29-21-12-6-13-22-29,30-23-14-7-15-24-30)34-26-16-25-32(33,27-17-8-4-9-18-27)28-19-10-5-11-20-28/h4-15,17-24,33H,16,25-26H2,1-3H3
InChIKeyASDSTCXSTJGWIF-UHFFFAOYSA-N
XLogP6.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.72
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-diphenyl-(8-trityloxyoctoxy)silane
CID 102242281
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
tert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane
CID 71605136
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
[5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentan-2-yl]oxy-diphenylphosphane
CID 11953688
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol (CID 165343479) is 4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol is CC(C)(C)[Si](OCCCC(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol?
The InChIKey is ASDSTCXSTJGWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36O2Si/c1-31(2,3)35(29-21-12-6-13-22-29,30-23-14-7-15-24-30)34-26-16-25-32(33,27-17-8-4-9-18-27)28-19-10-5-11-20-28/h4-15,17-24,33H,16,25-26H2,1-3H3.
What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol?
4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol has a molecular weight of 480.72 g/mol, XLogP of 6.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol is sourced from PubChem (CID 165343479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).