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

C23H50O2Si2 — CID 10982578

IUPACtert-butyl-[(2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methyloct-7-enoxy]-dimethylsilane
SMILESC=C[C@H](C)[C@H](CC[C@@H](CC)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H50O2Si2/c1-14-19(3)21(25-27(12,13)23(7,8)9)17-16-20(15-2)18-24-26(10,11)22(4,5)6/h14,19-21H,1,15-18H2,2-13H3/t19-,20+,21-/m0/s1
InChIKeyZQBQXIROJFURBO-HBMCJLEFSA-N
MW414.82 g/mol
LogP8.03
Rot. Bonds11

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

tert-butyl-[(2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methyloct-7-enoxy]-dimethylsilane (PubChem CID 10982578) has the molecular formula C23H50O2Si2 and a molecular weight of 414.82 g/mol. Its IUPAC name is tert-butyl-[(2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methyloct-7-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methyloct-7-enoxy]-dimethylsilane
PubChem CID10982578
Molecular FormulaC23H50O2Si2
Molecular Weight414.82 g/mol
Exact Mass414.33
IUPAC Nametert-butyl-[(2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methyloct-7-enoxy]-dimethylsilane
SMILESC=C[C@H](C)[C@H](CC[C@@H](CC)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H50O2Si2/c1-14-19(3)21(25-27(12,13)23(7,8)9)17-16-20(15-2)18-24-26(10,11)22(4,5)6/h14,19-21H,1,15-18H2,2-13H3/t19-,20+,21-/m0/s1
InChIKeyZQBQXIROJFURBO-HBMCJLEFSA-N
XLogP8.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.82
LogP ≤ 58.03
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-[(2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methyloct-7-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methyloct-7-enoxy]-dimethylsilane (CID 10982578) is tert-butyl-[(2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methyloct-7-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methyloct-7-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methyloct-7-enoxy]-dimethylsilane is C=C[C@H](C)[C@H](CC[C@@H](CC)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methyloct-7-enoxy]-dimethylsilane?
The InChIKey is ZQBQXIROJFURBO-HBMCJLEFSA-N. The full InChI is InChI=1S/C23H50O2Si2/c1-14-19(3)21(25-27(12,13)23(7,8)9)17-16-20(15-2)18-24-26(10,11)22(4,5)6/h14,19-21H,1,15-18H2,2-13H3/t19-,20+,21-/m0/s1.
What are the key properties of tert-butyl-[(2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methyloct-7-enoxy]-dimethylsilane?
tert-butyl-[(2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methyloct-7-enoxy]-dimethylsilane has a molecular weight of 414.82 g/mol, XLogP of 8.03, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methyloct-7-enoxy]-dimethylsilane is sourced from PubChem (CID 10982578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).