[(E,2S,5R)-6-(benzenesulfonyl)-3,5-dimethylhex-3-en-2-yl]oxy-tert-butyl-dimethylsilane

C20H34O3SSi — CID 154707214

About [(E,2S,5R)-6-(benzenesulfonyl)-3,5-dimethylhex-3-en-2-yl]oxy-tert-butyl-dimethylsilane

[(E,2S,5R)-6-(benzenesulfonyl)-3,5-dimethylhex-3-en-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 154707214) has the molecular formula C20H34O3SSi and a molecular weight of 382.64 g/mol. Its IUPAC name is [(E,2S,5R)-6-(benzenesulfonyl)-3,5-dimethylhex-3-en-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(E,2S,5R)-6-(benzenesulfonyl)-3,5-dimethylhex-3-en-2-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 154707214
• Molecular Formula: C20H34O3SSi
• Molecular Weight: 382.64 g/mol
• Exact Mass: 382.20
• IUPAC Name: [(E,2S,5R)-6-(benzenesulfonyl)-3,5-dimethylhex-3-en-2-yl]oxy-tert-butyl-dimethylsilane
• SMILES: C/C(=C\[C@@H](C)CS(=O)(=O)c1ccccc1)[C@H](C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C20H34O3SSi/c1-16(15-24(21,22)19-12-10-9-11-13-19)14-17(2)18(3)23-25(7,8)20(4,5)6/h9-14,16,18H,15H2,1-8H3/b17-14+/t16-,18+/m1/s1
• InChIKey: OJKFWWWCAUCFME-BCGGDATKSA-N
• XLogP: 5.45
• TPSA: 43.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	382.64
LogP ≤ 5	5.45
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,2S,5R)-6-(benzenesulfonyl)-3,5-dimethylhex-3-en-2-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(E,2S,5R)-6-(benzenesulfonyl)-3,5-dimethylhex-3-en-2-yl]oxy-tert-butyl-dimethylsilane (CID 154707214) is [(E,2S,5R)-6-(benzenesulfonyl)-3,5-dimethylhex-3-en-2-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(E,2S,5R)-6-(benzenesulfonyl)-3,5-dimethylhex-3-en-2-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(E,2S,5R)-6-(benzenesulfonyl)-3,5-dimethylhex-3-en-2-yl]oxy-tert-butyl-dimethylsilane is C/C(=C\[C@@H](C)CS(=O)(=O)c1ccccc1)[C@H](C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(E,2S,5R)-6-(benzenesulfonyl)-3,5-dimethylhex-3-en-2-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is OJKFWWWCAUCFME-BCGGDATKSA-N. The full InChI is InChI=1S/C20H34O3SSi/c1-16(15-24(21,22)19-12-10-9-11-13-19)14-17(2)18(3)23-25(7,8)20(4,5)6/h9-14,16,18H,15H2,1-8H3/b17-14+/t16-,18+/m1/s1.

What are the key properties of [(E,2S,5R)-6-(benzenesulfonyl)-3,5-dimethylhex-3-en-2-yl]oxy-tert-butyl-dimethylsilane?

[(E,2S,5R)-6-(benzenesulfonyl)-3,5-dimethylhex-3-en-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 382.64 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(E,2S,5R)-6-(benzenesulfonyl)-3,5-dimethylhex-3-en-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 154707214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).