tert-butyl-[(2R,3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methyloxolan-3-yl]oxy-dimethylsilane

C19H40O3Si2 — CID 45276408

IUPACtert-butyl-[(2R,3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methyloxolan-3-yl]oxy-dimethylsilane
SMILESC=C[C@H]1O[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si2/c1-13-15-17(22-24(11,12)19(6,7)8)16(14(2)20-15)21-23(9,10)18(3,4)5/h13-17H,1H2,2-12H3/t14-,15+,16-,17+/m0/s1
InChIKeyAJZLFMOVVJAODT-VVLHAWIVSA-N
MW372.70 g/mol
LogP5.74
Rot. Bonds5

About tert-butyl-[(2R,3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methyloxolan-3-yl]oxy-dimethylsilane

tert-butyl-[(2R,3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methyloxolan-3-yl]oxy-dimethylsilane (PubChem CID 45276408) has the molecular formula C19H40O3Si2 and a molecular weight of 372.70 g/mol. Its IUPAC name is tert-butyl-[(2R,3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methyloxolan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methyloxolan-3-yl]oxy-dimethylsilane
PubChem CID45276408
Molecular FormulaC19H40O3Si2
Molecular Weight372.70 g/mol
Exact Mass372.25
IUPAC Nametert-butyl-[(2R,3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methyloxolan-3-yl]oxy-dimethylsilane
SMILESC=C[C@H]1O[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si2/c1-13-15-17(22-24(11,12)19(6,7)8)16(14(2)20-15)21-23(9,10)18(3,4)5/h13-17H,1H2,2-12H3/t14-,15+,16-,17+/m0/s1
InChIKeyAJZLFMOVVJAODT-VVLHAWIVSA-N
XLogP5.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.70
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methyloxolan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methyloxolan-3-yl]oxy-dimethylsilane (CID 45276408) is tert-butyl-[(2R,3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methyloxolan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methyloxolan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methyloxolan-3-yl]oxy-dimethylsilane is C=C[C@H]1O[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methyloxolan-3-yl]oxy-dimethylsilane?
The InChIKey is AJZLFMOVVJAODT-VVLHAWIVSA-N. The full InChI is InChI=1S/C19H40O3Si2/c1-13-15-17(22-24(11,12)19(6,7)8)16(14(2)20-15)21-23(9,10)18(3,4)5/h13-17H,1H2,2-12H3/t14-,15+,16-,17+/m0/s1.
What are the key properties of tert-butyl-[(2R,3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methyloxolan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methyloxolan-3-yl]oxy-dimethylsilane has a molecular weight of 372.70 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methyloxolan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 45276408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).