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

C19H40O4Si2 — CID 99772841

IUPACtert-butyl-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane
SMILESC=C[C@@H]1O[C@@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O4Si2/c1-13-14-15(22-24(9,10)18(2,3)4)16(17(20-8)21-14)23-25(11,12)19(5,6)7/h13-17H,1H2,2-12H3/t14-,15+,16+,17+/m0/s1
InChIKeyXEKJNTIXHLSSLN-YLFCFFPRSA-N
MW388.70 g/mol
LogP5.32
Rot. Bonds6

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

tert-butyl-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane (PubChem CID 99772841) has the molecular formula C19H40O4Si2 and a molecular weight of 388.70 g/mol. Its IUPAC name is tert-butyl-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane
PubChem CID99772841
Molecular FormulaC19H40O4Si2
Molecular Weight388.70 g/mol
Exact Mass388.25
IUPAC Nametert-butyl-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane
SMILESC=C[C@@H]1O[C@@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O4Si2/c1-13-14-15(22-24(9,10)18(2,3)4)16(17(20-8)21-14)23-25(11,12)19(5,6)7/h13-17H,1H2,2-12H3/t14-,15+,16+,17+/m0/s1
InChIKeyXEKJNTIXHLSSLN-YLFCFFPRSA-N
XLogP5.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.70
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane (CID 99772841) is tert-butyl-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane is C=C[C@@H]1O[C@@H](OC)[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-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane?
The InChIKey is XEKJNTIXHLSSLN-YLFCFFPRSA-N. The full InChI is InChI=1S/C19H40O4Si2/c1-13-14-15(22-24(9,10)18(2,3)4)16(17(20-8)21-14)23-25(11,12)19(5,6)7/h13-17H,1H2,2-12H3/t14-,15+,16+,17+/m0/s1.
What are the key properties of tert-butyl-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane has a molecular weight of 388.70 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methoxyoxolan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 99772841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).