tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane

C21H54O3Si5 — CID 123670804

IUPACtert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC[Si](C)(C)CC[Si](C)(C)O[Si](C)(C)CC[Si](C)(C)O
InChIInChI=1S/C21H54O3Si5/c1-21(2,3)29(12,13)23-15-14-16-25(4,5)17-19-27(8,9)24-28(10,11)20-18-26(6,7)22/h22H,14-20H2,1-13H3
InChIKeyGCNJXGCMISGHGB-UHFFFAOYSA-N
MW495.09 g/mol
LogP7.73
Rot. Bonds13

About tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane

tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane (PubChem CID 123670804) has the molecular formula C21H54O3Si5 and a molecular weight of 495.09 g/mol. Its IUPAC name is tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane
PubChem CID123670804
Molecular FormulaC21H54O3Si5
Molecular Weight495.09 g/mol
Exact Mass494.29
IUPAC Nametert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC[Si](C)(C)CC[Si](C)(C)O[Si](C)(C)CC[Si](C)(C)O
InChIInChI=1S/C21H54O3Si5/c1-21(2,3)29(12,13)23-15-14-16-25(4,5)17-19-27(8,9)24-28(10,11)20-18-26(6,7)22/h22H,14-20H2,1-13H3
InChIKeyGCNJXGCMISGHGB-UHFFFAOYSA-N
XLogP7.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.09
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

tert-butyl-[3-[2-[dimethylsilyloxy(dimethyl)silyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane
CID 123418519
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[3-[diethoxy(methyl)silyl]propoxy]-dimethylsilane
CID 86070963
22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
CID 15229755
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515
azane;butoxy-tert-butyl-dimethylsilane
CID 87971025
tert-butyl-(4,4-dimethylpentoxy)-dimethylsilane
CID 59819312
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
3-[tert-butyl(dimethyl)silyl]oxypropylthiourea
CID 155592862
10-[tert-butyl(dimethyl)silyl]oxy-1,1-dideuteriodecan-1-ol
CID 102212924

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane (CID 123670804) is tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCC[Si](C)(C)CC[Si](C)(C)O[Si](C)(C)CC[Si](C)(C)O.
What is the InChIKey of tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane?
The InChIKey is GCNJXGCMISGHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H54O3Si5/c1-21(2,3)29(12,13)23-15-14-16-25(4,5)17-19-27(8,9)24-28(10,11)20-18-26(6,7)22/h22H,14-20H2,1-13H3.
What are the key properties of tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane?
tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane has a molecular weight of 495.09 g/mol, XLogP of 7.73, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane is sourced from PubChem (CID 123670804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).