tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane

C26H50O2Si2 — CID 10789748

IUPACtert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCC(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C26H50O2Si2/c1-25(2,3)29(7,8)27-22-18-13-11-12-17-21-24(23-19-15-14-16-20-23)28-30(9,10)26(4,5)6/h14-16,19-20,24H,11-13,17-18,21-22H2,1-10H3
InChIKeyIIAFBIROAUKQPW-UHFFFAOYSA-N
MW450.86 g/mol
LogP9.11
Rot. Bonds12

About tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane

tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane (PubChem CID 10789748) has the molecular formula C26H50O2Si2 and a molecular weight of 450.86 g/mol. Its IUPAC name is tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane
PubChem CID10789748
Molecular FormulaC26H50O2Si2
Molecular Weight450.86 g/mol
Exact Mass450.33
IUPAC Nametert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCC(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C26H50O2Si2/c1-25(2,3)29(7,8)27-22-18-13-11-12-17-21-24(23-19-15-14-16-20-23)28-30(9,10)26(4,5)6/h14-16,19-20,24H,11-13,17-18,21-22H2,1-10H3
InChIKeyIIAFBIROAUKQPW-UHFFFAOYSA-N
XLogP9.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.86
LogP ≤ 59.11
H-Bond Donors ≤ 50
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

O-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]hydroxylamine
CID 71251740
tert-butyl-dimethyl-[(1S)-4-nitro-1-phenylbutoxy]silane
CID 11141410
tert-butyl-dimethyl-(6-trityloxyhexoxy)silane
CID 16753413
tert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane
CID 135068187
(1S)-5-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-1-phenylpentane-1-sulfonamide
CID 91798381
14-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxytetradecanoic acid
CID 67997848
tert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane
CID 15262613
tert-butyl-dimethyl-(10-methyl-5,7-diphenylundec-9-enoxy)silane
CID 153444046
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 11230810

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane (CID 10789748) is tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCCCCCC(O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane?
The InChIKey is IIAFBIROAUKQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O2Si2/c1-25(2,3)29(7,8)27-22-18-13-11-12-17-21-24(23-19-15-14-16-20-23)28-30(9,10)26(4,5)6/h14-16,19-20,24H,11-13,17-18,21-22H2,1-10H3.
What are the key properties of tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane?
tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane has a molecular weight of 450.86 g/mol, XLogP of 9.11, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane is sourced from PubChem (CID 10789748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).