tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-(methoxymethoxy)hex-5-ynoxy]-dimethylsilane

C22H44O4Si2 — CID 73293402

IUPACtert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-(methoxymethoxy)hex-5-ynoxy]-dimethylsilane
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCOC)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O4Si2/c1-14-16-19(26-28(12,13)22(6,7)8)20(24-17-23-9)18(15-2)25-27(10,11)21(3,4)5/h1,15,18-20H,2,16-17H2,3-13H3/t18-,19-,20-/m1/s1
InChIKeyHCYKRFCESQHWCM-VAMGGRTRSA-N
MW428.76 g/mol
LogP5.97
Rot. Bonds11

About tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-(methoxymethoxy)hex-5-ynoxy]-dimethylsilane

tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-(methoxymethoxy)hex-5-ynoxy]-dimethylsilane (PubChem CID 73293402) has the molecular formula C22H44O4Si2 and a molecular weight of 428.76 g/mol. Its IUPAC name is tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-(methoxymethoxy)hex-5-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-(methoxymethoxy)hex-5-ynoxy]-dimethylsilane
PubChem CID73293402
Molecular FormulaC22H44O4Si2
Molecular Weight428.76 g/mol
Exact Mass428.28
IUPAC Nametert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-(methoxymethoxy)hex-5-ynoxy]-dimethylsilane
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCOC)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O4Si2/c1-14-16-19(26-28(12,13)22(6,7)8)20(24-17-23-9)18(15-2)25-27(10,11)21(3,4)5/h1,15,18-20H,2,16-17H2,3-13H3/t18-,19-,20-/m1/s1
InChIKeyHCYKRFCESQHWCM-VAMGGRTRSA-N
XLogP5.97
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.76
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-(methoxymethoxy)hex-5-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-(methoxymethoxy)hex-5-ynoxy]-dimethylsilane (CID 73293402) is tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-(methoxymethoxy)hex-5-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-(methoxymethoxy)hex-5-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-(methoxymethoxy)hex-5-ynoxy]-dimethylsilane is C#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCOC)[C@@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-(methoxymethoxy)hex-5-ynoxy]-dimethylsilane?
The InChIKey is HCYKRFCESQHWCM-VAMGGRTRSA-N. The full InChI is InChI=1S/C22H44O4Si2/c1-14-16-19(26-28(12,13)22(6,7)8)20(24-17-23-9)18(15-2)25-27(10,11)21(3,4)5/h1,15,18-20H,2,16-17H2,3-13H3/t18-,19-,20-/m1/s1.
What are the key properties of tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-(methoxymethoxy)hex-5-ynoxy]-dimethylsilane?
tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-(methoxymethoxy)hex-5-ynoxy]-dimethylsilane has a molecular weight of 428.76 g/mol, XLogP of 5.97, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-(methoxymethoxy)hex-5-ynoxy]-dimethylsilane is sourced from PubChem (CID 73293402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).