tert-butyl-[(2S,4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-enoxy]-dimethylsilane

C23H50O2Si2 — CID 10938591

IUPACtert-butyl-[(2S,4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-enoxy]-dimethylsilane
SMILESC=C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H50O2Si2/c1-15-19(3)21(25-27(13,14)23(8,9)10)20(4)16-18(2)17-24-26(11,12)22(5,6)7/h15,18-21H,1,16-17H2,2-14H3/t18-,19+,20+,21+/m0/s1
InChIKeyQYLOVMGSDIYCHT-DOIPELPJSA-N
MW414.82 g/mol
LogP7.88
Rot. Bonds10

About tert-butyl-[(2S,4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-enoxy]-dimethylsilane

tert-butyl-[(2S,4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-enoxy]-dimethylsilane (PubChem CID 10938591) has the molecular formula C23H50O2Si2 and a molecular weight of 414.82 g/mol. Its IUPAC name is tert-butyl-[(2S,4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-enoxy]-dimethylsilane
PubChem CID10938591
Molecular FormulaC23H50O2Si2
Molecular Weight414.82 g/mol
Exact Mass414.33
IUPAC Nametert-butyl-[(2S,4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-enoxy]-dimethylsilane
SMILESC=C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H50O2Si2/c1-15-19(3)21(25-27(13,14)23(8,9)10)20(4)16-18(2)17-24-26(11,12)22(5,6)7/h15,18-21H,1,16-17H2,2-14H3/t18-,19+,20+,21+/m0/s1
InChIKeyQYLOVMGSDIYCHT-DOIPELPJSA-N
XLogP7.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.82
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-enoxy]-dimethylsilane (CID 10938591) is tert-butyl-[(2S,4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-enoxy]-dimethylsilane is C=C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-enoxy]-dimethylsilane?
The InChIKey is QYLOVMGSDIYCHT-DOIPELPJSA-N. The full InChI is InChI=1S/C23H50O2Si2/c1-15-19(3)21(25-27(13,14)23(8,9)10)20(4)16-18(2)17-24-26(11,12)22(5,6)7/h15,18-21H,1,16-17H2,2-14H3/t18-,19+,20+,21+/m0/s1.
What are the key properties of tert-butyl-[(2S,4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-enoxy]-dimethylsilane?
tert-butyl-[(2S,4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-enoxy]-dimethylsilane has a molecular weight of 414.82 g/mol, XLogP of 7.88, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-enoxy]-dimethylsilane is sourced from PubChem (CID 10938591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).