tert-butyl-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,4S,5S)-3-methoxy-4-methyl-5-prop-2-enyloxolan-2-yl]propan-2-yl]oxy-dimethylsilane

C24H50O4Si2 — CID 89329092

IUPACtert-butyl-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,4S,5S)-3-methoxy-4-methyl-5-prop-2-enyloxolan-2-yl]propan-2-yl]oxy-dimethylsilane
SMILESC=CC[C@@H]1O[C@H](C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](OC)[C@H]1C
InChIInChI=1S/C24H50O4Si2/c1-14-15-20-18(2)22(25-9)21(27-20)16-19(28-30(12,13)24(6,7)8)17-26-29(10,11)23(3,4)5/h14,18-22H,1,15-17H2,2-13H3/t18-,19-,20-,21+,22+/m0/s1
InChIKeyRLDGIWSBQAQCQU-RTOMLYRKSA-N
MW458.83 g/mol
LogP6.78
Rot. Bonds10

About tert-butyl-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,4S,5S)-3-methoxy-4-methyl-5-prop-2-enyloxolan-2-yl]propan-2-yl]oxy-dimethylsilane

tert-butyl-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,4S,5S)-3-methoxy-4-methyl-5-prop-2-enyloxolan-2-yl]propan-2-yl]oxy-dimethylsilane (PubChem CID 89329092) has the molecular formula C24H50O4Si2 and a molecular weight of 458.83 g/mol. Its IUPAC name is tert-butyl-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,4S,5S)-3-methoxy-4-methyl-5-prop-2-enyloxolan-2-yl]propan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,4S,5S)-3-methoxy-4-methyl-5-prop-2-enyloxolan-2-yl]propan-2-yl]oxy-dimethylsilane
PubChem CID89329092
Molecular FormulaC24H50O4Si2
Molecular Weight458.83 g/mol
Exact Mass458.32
IUPAC Nametert-butyl-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,4S,5S)-3-methoxy-4-methyl-5-prop-2-enyloxolan-2-yl]propan-2-yl]oxy-dimethylsilane
SMILESC=CC[C@@H]1O[C@H](C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](OC)[C@H]1C
InChIInChI=1S/C24H50O4Si2/c1-14-15-20-18(2)22(25-9)21(27-20)16-19(28-30(12,13)24(6,7)8)17-26-29(10,11)23(3,4)5/h14,18-22H,1,15-17H2,2-13H3/t18-,19-,20-,21+,22+/m0/s1
InChIKeyRLDGIWSBQAQCQU-RTOMLYRKSA-N
XLogP6.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.83
LogP ≤ 56.78
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)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,4S,5S)-3-methoxy-4-methyl-5-prop-2-enyloxolan-2-yl]propan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,4S,5S)-3-methoxy-4-methyl-5-prop-2-enyloxolan-2-yl]propan-2-yl]oxy-dimethylsilane (CID 89329092) is tert-butyl-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,4S,5S)-3-methoxy-4-methyl-5-prop-2-enyloxolan-2-yl]propan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,4S,5S)-3-methoxy-4-methyl-5-prop-2-enyloxolan-2-yl]propan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,4S,5S)-3-methoxy-4-methyl-5-prop-2-enyloxolan-2-yl]propan-2-yl]oxy-dimethylsilane is C=CC[C@@H]1O[C@H](C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](OC)[C@H]1C.
What is the InChIKey of tert-butyl-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,4S,5S)-3-methoxy-4-methyl-5-prop-2-enyloxolan-2-yl]propan-2-yl]oxy-dimethylsilane?
The InChIKey is RLDGIWSBQAQCQU-RTOMLYRKSA-N. The full InChI is InChI=1S/C24H50O4Si2/c1-14-15-20-18(2)22(25-9)21(27-20)16-19(28-30(12,13)24(6,7)8)17-26-29(10,11)23(3,4)5/h14,18-22H,1,15-17H2,2-13H3/t18-,19-,20-,21+,22+/m0/s1.
What are the key properties of tert-butyl-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,4S,5S)-3-methoxy-4-methyl-5-prop-2-enyloxolan-2-yl]propan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,4S,5S)-3-methoxy-4-methyl-5-prop-2-enyloxolan-2-yl]propan-2-yl]oxy-dimethylsilane has a molecular weight of 458.83 g/mol, XLogP of 6.78, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,4S,5S)-3-methoxy-4-methyl-5-prop-2-enyloxolan-2-yl]propan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 89329092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).