[(E)-3-[(2S,3R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane

C26H54O3Si3 — CID 11294973

About [(E)-3-[(2S,3R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane

[(E)-3-[(2S,3R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane (PubChem CID 11294973) has the molecular formula C26H54O3Si3 and a molecular weight of 498.97 g/mol. Its IUPAC name is [(E)-3-[(2S,3R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane.

Molecular Properties

• Compound Name: [(E)-3-[(2S,3R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane
• PubChem CID: 11294973
• Molecular Formula: C26H54O3Si3
• Molecular Weight: 498.97 g/mol
• Exact Mass: 498.34
• IUPAC Name: [(E)-3-[(2S,3R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane
• SMILES: C=C[C@H]1O[C@@H](/C=C/C[Si](C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C26H54O3Si3/c1-15-23-21(19-27-31(11,12)25(2,3)4)22(20-28-32(13,14)26(5,6)7)24(29-23)17-16-18-30(8,9)10/h15-17,21-24H,1,18-20H2,2-14H3/b17-16+/t21-,22+,23-,24+/m1/s1
• InChIKey: WMWFPEBDHOFBNB-CZFLPGETSA-N
• XLogP: 8.11
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.97
LogP ≤ 5	8.11
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 [(E)-3-[(2S,3R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane?

The IUPAC name of [(E)-3-[(2S,3R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane (CID 11294973) is [(E)-3-[(2S,3R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane.

What is the SMILES notation for [(E)-3-[(2S,3R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane?

The canonical SMILES for [(E)-3-[(2S,3R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane is C=C[C@H]1O[C@@H](/C=C/C[Si](C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(E)-3-[(2S,3R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane?

The InChIKey is WMWFPEBDHOFBNB-CZFLPGETSA-N. The full InChI is InChI=1S/C26H54O3Si3/c1-15-23-21(19-27-31(11,12)25(2,3)4)22(20-28-32(13,14)26(5,6)7)24(29-23)17-16-18-30(8,9)10/h15-17,21-24H,1,18-20H2,2-14H3/b17-16+/t21-,22+,23-,24+/m1/s1.

What are the key properties of [(E)-3-[(2S,3R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane?

[(E)-3-[(2S,3R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane has a molecular weight of 498.97 g/mol, XLogP of 8.11, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(E)-3-[(2S,3R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane is sourced from PubChem (CID 11294973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).