tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;pentan-1-ol

C37H50O2Si2 — CID 131717831

IUPACtert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;pentan-1-ol
SMILESCC(C)(C)[Si](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.CCCCCO
InChIInChI=1S/C32H38OSi2.C5H12O/c1-31(2,3)34(27-19-11-7-12-20-27,28-21-13-8-14-22-28)33-35(32(4,5)6,29-23-15-9-16-24-29)30-25-17-10-18-26-30;1-2-3-4-5-6/h7-26H,1-6H3;6H,2-5H2,1H3
InChIKeyKZJMIGJSHMZGQX-UHFFFAOYSA-N
MW582.98 g/mol
LogP7.29
Rot. Bonds9

About tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;pentan-1-ol

tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;pentan-1-ol (PubChem CID 131717831) has the molecular formula C37H50O2Si2 and a molecular weight of 582.98 g/mol. Its IUPAC name is tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;pentan-1-ol.

Molecular Properties

Compound Nametert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;pentan-1-ol
PubChem CID131717831
Molecular FormulaC37H50O2Si2
Molecular Weight582.98 g/mol
Exact Mass582.33
IUPAC Nametert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;pentan-1-ol
SMILESCC(C)(C)[Si](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.CCCCCO
InChIInChI=1S/C32H38OSi2.C5H12O/c1-31(2,3)34(27-19-11-7-12-20-27,28-21-13-8-14-22-28)33-35(32(4,5)6,29-23-15-9-16-24-29)30-25-17-10-18-26-30;1-2-3-4-5-6/h7-26H,1-6H3;6H,2-5H2,1H3
InChIKeyKZJMIGJSHMZGQX-UHFFFAOYSA-N
XLogP7.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.98
LogP ≤ 57.29
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

1,3-Dimethoxy-1,1,3,3-tetraphenyldisiloxane
CID 21903287
6-((tert-Butyldiphenylsilyl)oxy)hexan-1-ol
CID 11013734
1-Butanol, 4-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-
CID 10065108
5-(tert-Butyldiphenylsilyloxy)pentan-1-ol
CID 10925936
9-[Tert-butyl(diphenyl)silyl]oxynonan-1-ol
CID 14940128
3,3,8,8-Tetraphenyl-4,7-dioxa-3,8-disiladeca-1,9-diene
CID 15942164
2-Ethyl-2-(hydroxymethyl)propane-1,3-diol--1,3,5-trimethoxy-1,5-dimethyl-1,3,5-triphenyltrisiloxane (1/1)
CID 44147942
(2S,4R)-5-((tert-Butyldiphenylsilyl)oxy)-2,4-dimethylpentan-1-ol
CID 11474187
tert-butyl-[(4E,8E)-12-[tert-butyl(diphenyl)silyl]oxydodeca-4,8-dienoxy]-diphenylsilane
CID 11858510
1,1-Bis(triphenylsilyl)ethanol
CID 4427596
10-[(t-Butyldiphenylsilyl)oxy]-decane-1-ol
CID 10938547
1-Octanol, 8-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-
CID 11222865

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;pentan-1-ol?
The IUPAC name of tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;pentan-1-ol (CID 131717831) is tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;pentan-1-ol.
What is the SMILES notation for tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;pentan-1-ol?
The canonical SMILES for tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;pentan-1-ol is CC(C)(C)[Si](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.CCCCCO.
What is the InChIKey of tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;pentan-1-ol?
The InChIKey is KZJMIGJSHMZGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38OSi2.C5H12O/c1-31(2,3)34(27-19-11-7-12-20-27,28-21-13-8-14-22-28)33-35(32(4,5)6,29-23-15-9-16-24-29)30-25-17-10-18-26-30;1-2-3-4-5-6/h7-26H,1-6H3;6H,2-5H2,1H3.
What are the key properties of tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;pentan-1-ol?
tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;pentan-1-ol has a molecular weight of 582.98 g/mol, XLogP of 7.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;pentan-1-ol is sourced from PubChem (CID 131717831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).