tert-butyl-[(Z)-3-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]prop-2-enoxy]-dimethylsilane

C22H44O3Si2 — CID 134941898

About tert-butyl-[(Z)-3-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]prop-2-enoxy]-dimethylsilane

tert-butyl-[(Z)-3-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]prop-2-enoxy]-dimethylsilane (PubChem CID 134941898) has the molecular formula C22H44O3Si2 and a molecular weight of 412.76 g/mol. Its IUPAC name is tert-butyl-[(Z)-3-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]prop-2-enoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(Z)-3-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]prop-2-enoxy]-dimethylsilane
• PubChem CID: 134941898
• Molecular Formula: C22H44O3Si2
• Molecular Weight: 412.76 g/mol
• Exact Mass: 412.28
• IUPAC Name: tert-butyl-[(Z)-3-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]prop-2-enoxy]-dimethylsilane
• SMILES: C=C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](/C=C\CO[Si](C)(C)C(C)(C)C)O1
• InChI: InChI=1S/C22H44O3Si2/c1-12-18-16-20(25-27(10,11)22(5,6)7)17-19(24-18)14-13-15-23-26(8,9)21(2,3)4/h12-14,18-20H,1,15-17H2,2-11H3/b14-13-/t18-,19+,20+/m0/s1
• InChIKey: GCJXOQSDKKLWQP-SWFKOOPPSA-N
• XLogP: 6.69
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.76
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-3-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]prop-2-enoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(Z)-3-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]prop-2-enoxy]-dimethylsilane (CID 134941898) is tert-butyl-[(Z)-3-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]prop-2-enoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(Z)-3-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]prop-2-enoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(Z)-3-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]prop-2-enoxy]-dimethylsilane is C=C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](/C=C\CO[Si](C)(C)C(C)(C)C)O1.

What is the InChIKey of tert-butyl-[(Z)-3-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]prop-2-enoxy]-dimethylsilane?

The InChIKey is GCJXOQSDKKLWQP-SWFKOOPPSA-N. The full InChI is InChI=1S/C22H44O3Si2/c1-12-18-16-20(25-27(10,11)22(5,6)7)17-19(24-18)14-13-15-23-26(8,9)21(2,3)4/h12-14,18-20H,1,15-17H2,2-11H3/b14-13-/t18-,19+,20+/m0/s1.

What are the key properties of tert-butyl-[(Z)-3-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]prop-2-enoxy]-dimethylsilane?

tert-butyl-[(Z)-3-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]prop-2-enoxy]-dimethylsilane has a molecular weight of 412.76 g/mol, XLogP of 6.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(Z)-3-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]prop-2-enoxy]-dimethylsilane is sourced from PubChem (CID 134941898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).