tert-butyl-[2-[(2S,5S)-5-[(2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-5-methyloxan-2-yl]-5-methyloxolan-2-yl]propan-2-yloxy]-dimethylsilane

C28H56O4Si2 — CID 25210177

IUPACtert-butyl-[2-[(2S,5S)-5-[(2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-5-methyloxan-2-yl]-5-methyloxolan-2-yl]propan-2-yloxy]-dimethylsilane
SMILESC=C[C@H]1O[C@@H]([C@]2(C)CC[C@@H](C(C)(C)O[Si](C)(C)C(C)(C)C)O2)CC[C@]1(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H56O4Si2/c1-16-21-28(11,32-34(14,15)25(5,6)7)20-18-23(29-21)27(10)19-17-22(30-27)26(8,9)31-33(12,13)24(2,3)4/h16,21-23H,1,17-20H2,2-15H3/t21-,22+,23-,27+,28+/m1/s1
InChIKeyDGLVJKVOYPOLRE-AHUIOXCRSA-N
MW512.92 g/mol
LogP8.24
Rot. Bonds7

About tert-butyl-[2-[(2S,5S)-5-[(2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-5-methyloxan-2-yl]-5-methyloxolan-2-yl]propan-2-yloxy]-dimethylsilane

tert-butyl-[2-[(2S,5S)-5-[(2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-5-methyloxan-2-yl]-5-methyloxolan-2-yl]propan-2-yloxy]-dimethylsilane (PubChem CID 25210177) has the molecular formula C28H56O4Si2 and a molecular weight of 512.92 g/mol. Its IUPAC name is tert-butyl-[2-[(2S,5S)-5-[(2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-5-methyloxan-2-yl]-5-methyloxolan-2-yl]propan-2-yloxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(2S,5S)-5-[(2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-5-methyloxan-2-yl]-5-methyloxolan-2-yl]propan-2-yloxy]-dimethylsilane
PubChem CID25210177
Molecular FormulaC28H56O4Si2
Molecular Weight512.92 g/mol
Exact Mass512.37
IUPAC Nametert-butyl-[2-[(2S,5S)-5-[(2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-5-methyloxan-2-yl]-5-methyloxolan-2-yl]propan-2-yloxy]-dimethylsilane
SMILESC=C[C@H]1O[C@@H]([C@]2(C)CC[C@@H](C(C)(C)O[Si](C)(C)C(C)(C)C)O2)CC[C@]1(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H56O4Si2/c1-16-21-28(11,32-34(14,15)25(5,6)7)20-18-23(29-21)27(10)19-17-22(30-27)26(8,9)31-33(12,13)24(2,3)4/h16,21-23H,1,17-20H2,2-15H3/t21-,22+,23-,27+,28+/m1/s1
InChIKeyDGLVJKVOYPOLRE-AHUIOXCRSA-N
XLogP8.24
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.92
LogP ≤ 58.24
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-[2-[(2S,5S)-5-[(2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-5-methyloxan-2-yl]-5-methyloxolan-2-yl]propan-2-yloxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(2S,5S)-5-[(2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-5-methyloxan-2-yl]-5-methyloxolan-2-yl]propan-2-yloxy]-dimethylsilane (CID 25210177) is tert-butyl-[2-[(2S,5S)-5-[(2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-5-methyloxan-2-yl]-5-methyloxolan-2-yl]propan-2-yloxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(2S,5S)-5-[(2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-5-methyloxan-2-yl]-5-methyloxolan-2-yl]propan-2-yloxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(2S,5S)-5-[(2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-5-methyloxan-2-yl]-5-methyloxolan-2-yl]propan-2-yloxy]-dimethylsilane is C=C[C@H]1O[C@@H]([C@]2(C)CC[C@@H](C(C)(C)O[Si](C)(C)C(C)(C)C)O2)CC[C@]1(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-[(2S,5S)-5-[(2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-5-methyloxan-2-yl]-5-methyloxolan-2-yl]propan-2-yloxy]-dimethylsilane?
The InChIKey is DGLVJKVOYPOLRE-AHUIOXCRSA-N. The full InChI is InChI=1S/C28H56O4Si2/c1-16-21-28(11,32-34(14,15)25(5,6)7)20-18-23(29-21)27(10)19-17-22(30-27)26(8,9)31-33(12,13)24(2,3)4/h16,21-23H,1,17-20H2,2-15H3/t21-,22+,23-,27+,28+/m1/s1.
What are the key properties of tert-butyl-[2-[(2S,5S)-5-[(2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-5-methyloxan-2-yl]-5-methyloxolan-2-yl]propan-2-yloxy]-dimethylsilane?
tert-butyl-[2-[(2S,5S)-5-[(2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-5-methyloxan-2-yl]-5-methyloxolan-2-yl]propan-2-yloxy]-dimethylsilane has a molecular weight of 512.92 g/mol, XLogP of 8.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(2S,5S)-5-[(2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-5-methyloxan-2-yl]-5-methyloxolan-2-yl]propan-2-yloxy]-dimethylsilane is sourced from PubChem (CID 25210177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).