tert-butyl-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-dimethylsilane

C16H38O2Si2 — CID 91747109

IUPACtert-butyl-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-dimethylsilane
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H38O2Si2/c1-13(17-19(9,10)15(3,4)5)14(2)18-20(11,12)16(6,7)8/h13-14H,1-12H3/t13-,14+
InChIKeyVJYUZDOLIHQNDS-OKILXGFUSA-N
MW318.65 g/mol
LogP5.81
Rot. Bonds5

About tert-butyl-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-dimethylsilane

tert-butyl-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-dimethylsilane (PubChem CID 91747109) has the molecular formula C16H38O2Si2 and a molecular weight of 318.65 g/mol. Its IUPAC name is tert-butyl-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-dimethylsilane
PubChem CID91747109
Molecular FormulaC16H38O2Si2
Molecular Weight318.65 g/mol
Exact Mass318.24
IUPAC Nametert-butyl-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-dimethylsilane
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H38O2Si2/c1-13(17-19(9,10)15(3,4)5)14(2)18-20(11,12)16(6,7)8/h13-14H,1-12H3/t13-,14+
InChIKeyVJYUZDOLIHQNDS-OKILXGFUSA-N
XLogP5.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.65
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-dimethylsilane (CID 91747109) is tert-butyl-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-dimethylsilane is C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-dimethylsilane?
The InChIKey is VJYUZDOLIHQNDS-OKILXGFUSA-N. The full InChI is InChI=1S/C16H38O2Si2/c1-13(17-19(9,10)15(3,4)5)14(2)18-20(11,12)16(6,7)8/h13-14H,1-12H3/t13-,14+.
What are the key properties of tert-butyl-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-dimethylsilane has a molecular weight of 318.65 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 91747109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).