[(2S,4Z,6E,8S)-10-(benzenesulfonyl)-8-[tert-butyl(dimethyl)silyl]oxydeca-4,6-dien-2-yl]oxy-tert-butyl-dimethylsilane

C28H50O4SSi2 — CID 155931673

About [(2S,4Z,6E,8S)-10-(benzenesulfonyl)-8-[tert-butyl(dimethyl)silyl]oxydeca-4,6-dien-2-yl]oxy-tert-butyl-dimethylsilane

[(2S,4Z,6E,8S)-10-(benzenesulfonyl)-8-[tert-butyl(dimethyl)silyl]oxydeca-4,6-dien-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 155931673) has the molecular formula C28H50O4SSi2 and a molecular weight of 538.94 g/mol. Its IUPAC name is [(2S,4Z,6E,8S)-10-(benzenesulfonyl)-8-[tert-butyl(dimethyl)silyl]oxydeca-4,6-dien-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(2S,4Z,6E,8S)-10-(benzenesulfonyl)-8-[tert-butyl(dimethyl)silyl]oxydeca-4,6-dien-2-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 155931673
• Molecular Formula: C28H50O4SSi2
• Molecular Weight: 538.94 g/mol
• Exact Mass: 538.30
• IUPAC Name: [(2S,4Z,6E,8S)-10-(benzenesulfonyl)-8-[tert-butyl(dimethyl)silyl]oxydeca-4,6-dien-2-yl]oxy-tert-butyl-dimethylsilane
• SMILES: C[C@@H](C/C=C\C=C\[C@H](CCS(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C28H50O4SSi2/c1-24(31-34(8,9)27(2,3)4)18-14-12-15-19-25(32-35(10,11)28(5,6)7)22-23-33(29,30)26-20-16-13-17-21-26/h12-17,19-21,24-25H,18,22-23H2,1-11H3/b14-12-,19-15+/t24-,25+/m0/s1
• InChIKey: LODRRQWXIPQIDL-LBZZNWLBSA-N
• XLogP: 8.15
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.94
LogP ≤ 5	8.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S,4Z,6E,8S)-10-(benzenesulfonyl)-8-[tert-butyl(dimethyl)silyl]oxydeca-4,6-dien-2-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(2S,4Z,6E,8S)-10-(benzenesulfonyl)-8-[tert-butyl(dimethyl)silyl]oxydeca-4,6-dien-2-yl]oxy-tert-butyl-dimethylsilane (CID 155931673) is [(2S,4Z,6E,8S)-10-(benzenesulfonyl)-8-[tert-butyl(dimethyl)silyl]oxydeca-4,6-dien-2-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(2S,4Z,6E,8S)-10-(benzenesulfonyl)-8-[tert-butyl(dimethyl)silyl]oxydeca-4,6-dien-2-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(2S,4Z,6E,8S)-10-(benzenesulfonyl)-8-[tert-butyl(dimethyl)silyl]oxydeca-4,6-dien-2-yl]oxy-tert-butyl-dimethylsilane is C[C@@H](C/C=C\C=C\[C@H](CCS(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(2S,4Z,6E,8S)-10-(benzenesulfonyl)-8-[tert-butyl(dimethyl)silyl]oxydeca-4,6-dien-2-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is LODRRQWXIPQIDL-LBZZNWLBSA-N. The full InChI is InChI=1S/C28H50O4SSi2/c1-24(31-34(8,9)27(2,3)4)18-14-12-15-19-25(32-35(10,11)28(5,6)7)22-23-33(29,30)26-20-16-13-17-21-26/h12-17,19-21,24-25H,18,22-23H2,1-11H3/b14-12-,19-15+/t24-,25+/m0/s1.

What are the key properties of [(2S,4Z,6E,8S)-10-(benzenesulfonyl)-8-[tert-butyl(dimethyl)silyl]oxydeca-4,6-dien-2-yl]oxy-tert-butyl-dimethylsilane?

[(2S,4Z,6E,8S)-10-(benzenesulfonyl)-8-[tert-butyl(dimethyl)silyl]oxydeca-4,6-dien-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 538.94 g/mol, XLogP of 8.15, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,4Z,6E,8S)-10-(benzenesulfonyl)-8-[tert-butyl(dimethyl)silyl]oxydeca-4,6-dien-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 155931673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).