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

C22H44O2Si2 — CID 10916284

IUPACtert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-ethylhex-5-ynoxy]-dimethylsilane
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CC)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O2Si2/c1-14-17-20(24-26(12,13)22(7,8)9)18(15-2)19(16-3)23-25(10,11)21(4,5)6/h1,16,18-20H,3,15,17H2,2,4-13H3/t18-,19-,20-/m1/s1
InChIKeyWUFFRDKGNODSLR-VAMGGRTRSA-N
MW396.76 g/mol
LogP7.00
Rot. Bonds9

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

tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-ethylhex-5-ynoxy]-dimethylsilane (PubChem CID 10916284) has the molecular formula C22H44O2Si2 and a molecular weight of 396.76 g/mol. Its IUPAC name is tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-ethylhex-5-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-ethylhex-5-ynoxy]-dimethylsilane
PubChem CID10916284
Molecular FormulaC22H44O2Si2
Molecular Weight396.76 g/mol
Exact Mass396.29
IUPAC Nametert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-ethylhex-5-ynoxy]-dimethylsilane
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CC)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O2Si2/c1-14-17-20(24-26(12,13)22(7,8)9)18(15-2)19(16-3)23-25(10,11)21(4,5)6/h1,16,18-20H,3,15,17H2,2,4-13H3/t18-,19-,20-/m1/s1
InChIKeyWUFFRDKGNODSLR-VAMGGRTRSA-N
XLogP7.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.76
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-ethylhex-5-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-ethylhex-5-ynoxy]-dimethylsilane (CID 10916284) is tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-ethylhex-5-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-ethylhex-5-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-ethylhex-5-ynoxy]-dimethylsilane is C#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CC)[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-ethylhex-5-ynoxy]-dimethylsilane?
The InChIKey is WUFFRDKGNODSLR-VAMGGRTRSA-N. The full InChI is InChI=1S/C22H44O2Si2/c1-14-17-20(24-26(12,13)22(7,8)9)18(15-2)19(16-3)23-25(10,11)21(4,5)6/h1,16,18-20H,3,15,17H2,2,4-13H3/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-ethylhex-5-ynoxy]-dimethylsilane?
tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-ethylhex-5-ynoxy]-dimethylsilane has a molecular weight of 396.76 g/mol, XLogP of 7.00, 9 rotatable bonds, 0 hydrogen bond donors, and 2 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-ethylhex-5-ynoxy]-dimethylsilane is sourced from PubChem (CID 10916284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).