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

C23H46O2Si2 — CID 10894868

IUPACtert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-propylhex-5-ynoxy]-dimethylsilane
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCC)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O2Si2/c1-14-17-19(20(16-3)24-26(10,11)22(4,5)6)21(18-15-2)25-27(12,13)23(7,8)9/h2,16,19-21H,3,14,17-18H2,1,4-13H3/t19-,20-,21-/m1/s1
InChIKeyJEMWYQANOCDMKM-NJDAHSKKSA-N
MW410.79 g/mol
LogP7.39
Rot. Bonds10

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

tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-propylhex-5-ynoxy]-dimethylsilane (PubChem CID 10894868) has the molecular formula C23H46O2Si2 and a molecular weight of 410.79 g/mol. Its IUPAC name is tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-propylhex-5-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-propylhex-5-ynoxy]-dimethylsilane
PubChem CID10894868
Molecular FormulaC23H46O2Si2
Molecular Weight410.79 g/mol
Exact Mass410.30
IUPAC Nametert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-propylhex-5-ynoxy]-dimethylsilane
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCC)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O2Si2/c1-14-17-19(20(16-3)24-26(10,11)22(4,5)6)21(18-15-2)25-27(12,13)23(7,8)9/h2,16,19-21H,3,14,17-18H2,1,4-13H3/t19-,20-,21-/m1/s1
InChIKeyJEMWYQANOCDMKM-NJDAHSKKSA-N
XLogP7.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.79
LogP ≤ 57.39
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-propylhex-5-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-propylhex-5-ynoxy]-dimethylsilane (CID 10894868) is tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-propylhex-5-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-propylhex-5-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-propylhex-5-ynoxy]-dimethylsilane is C#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCC)[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-propylhex-5-ynoxy]-dimethylsilane?
The InChIKey is JEMWYQANOCDMKM-NJDAHSKKSA-N. The full InChI is InChI=1S/C23H46O2Si2/c1-14-17-19(20(16-3)24-26(10,11)22(4,5)6)21(18-15-2)25-27(12,13)23(7,8)9/h2,16,19-21H,3,14,17-18H2,1,4-13H3/t19-,20-,21-/m1/s1.
What are the key properties of tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-propylhex-5-ynoxy]-dimethylsilane?
tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-propylhex-5-ynoxy]-dimethylsilane has a molecular weight of 410.79 g/mol, XLogP of 7.39, 10 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-propylhex-5-ynoxy]-dimethylsilane is sourced from PubChem (CID 10894868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).