tert-butyl-[(1S)-1-[(2S,3R)-3-[(2R,3R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-methyloxiran-2-yl]oxiran-2-yl]but-3-enoxy]-dimethylsilane

C25H48O4Si2 — CID 135929173

IUPACtert-butyl-[(1S)-1-[(2S,3R)-3-[(2R,3R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-methyloxiran-2-yl]oxiran-2-yl]but-3-enoxy]-dimethylsilane
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[C@H]1[C@H]1O[C@]1(C)C[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H48O4Si2/c1-14-16-19(29-31(12,13)24(6,7)8)20-21(26-20)22-25(9,27-22)17-18(15-2)28-30(10,11)23(3,4)5/h14-15,18-22H,1-2,16-17H2,3-13H3/t18-,19+,20-,21-,22-,25-/m1/s1
InChIKeyTZCXSOUQYKBYSL-GLXIUIGOSA-N
MW468.83 g/mol
LogP6.84
Rot. Bonds11

About tert-butyl-[(1S)-1-[(2S,3R)-3-[(2R,3R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-methyloxiran-2-yl]oxiran-2-yl]but-3-enoxy]-dimethylsilane

tert-butyl-[(1S)-1-[(2S,3R)-3-[(2R,3R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-methyloxiran-2-yl]oxiran-2-yl]but-3-enoxy]-dimethylsilane (PubChem CID 135929173) has the molecular formula C25H48O4Si2 and a molecular weight of 468.83 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-[(2S,3R)-3-[(2R,3R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-methyloxiran-2-yl]oxiran-2-yl]but-3-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-1-[(2S,3R)-3-[(2R,3R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-methyloxiran-2-yl]oxiran-2-yl]but-3-enoxy]-dimethylsilane
PubChem CID135929173
Molecular FormulaC25H48O4Si2
Molecular Weight468.83 g/mol
Exact Mass468.31
IUPAC Nametert-butyl-[(1S)-1-[(2S,3R)-3-[(2R,3R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-methyloxiran-2-yl]oxiran-2-yl]but-3-enoxy]-dimethylsilane
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[C@H]1[C@H]1O[C@]1(C)C[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H48O4Si2/c1-14-16-19(29-31(12,13)24(6,7)8)20-21(26-20)22-25(9,27-22)17-18(15-2)28-30(10,11)23(3,4)5/h14-15,18-22H,1-2,16-17H2,3-13H3/t18-,19+,20-,21-,22-,25-/m1/s1
InChIKeyTZCXSOUQYKBYSL-GLXIUIGOSA-N
XLogP6.84
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.83
LogP ≤ 56.84
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-1-[(2S,3R)-3-[(2R,3R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-methyloxiran-2-yl]oxiran-2-yl]but-3-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-1-[(2S,3R)-3-[(2R,3R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-methyloxiran-2-yl]oxiran-2-yl]but-3-enoxy]-dimethylsilane (CID 135929173) is tert-butyl-[(1S)-1-[(2S,3R)-3-[(2R,3R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-methyloxiran-2-yl]oxiran-2-yl]but-3-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-1-[(2S,3R)-3-[(2R,3R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-methyloxiran-2-yl]oxiran-2-yl]but-3-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-1-[(2S,3R)-3-[(2R,3R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-methyloxiran-2-yl]oxiran-2-yl]but-3-enoxy]-dimethylsilane is C=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[C@H]1[C@H]1O[C@]1(C)C[C@@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S)-1-[(2S,3R)-3-[(2R,3R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-methyloxiran-2-yl]oxiran-2-yl]but-3-enoxy]-dimethylsilane?
The InChIKey is TZCXSOUQYKBYSL-GLXIUIGOSA-N. The full InChI is InChI=1S/C25H48O4Si2/c1-14-16-19(29-31(12,13)24(6,7)8)20-21(26-20)22-25(9,27-22)17-18(15-2)28-30(10,11)23(3,4)5/h14-15,18-22H,1-2,16-17H2,3-13H3/t18-,19+,20-,21-,22-,25-/m1/s1.
What are the key properties of tert-butyl-[(1S)-1-[(2S,3R)-3-[(2R,3R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-methyloxiran-2-yl]oxiran-2-yl]but-3-enoxy]-dimethylsilane?
tert-butyl-[(1S)-1-[(2S,3R)-3-[(2R,3R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-methyloxiran-2-yl]oxiran-2-yl]but-3-enoxy]-dimethylsilane has a molecular weight of 468.83 g/mol, XLogP of 6.84, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-1-[(2S,3R)-3-[(2R,3R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-methyloxiran-2-yl]oxiran-2-yl]but-3-enoxy]-dimethylsilane is sourced from PubChem (CID 135929173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).