[(E)-5-[(2S,6S)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,3-dihydropyran-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane

C35H44O5SSi — CID 11319414

About [(E)-5-[(2S,6S)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,3-dihydropyran-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane

[(E)-5-[(2S,6S)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,3-dihydropyran-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane (PubChem CID 11319414) has the molecular formula C35H44O5SSi and a molecular weight of 604.89 g/mol. Its IUPAC name is [(E)-5-[(2S,6S)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,3-dihydropyran-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane.

Molecular Properties

• Compound Name: [(E)-5-[(2S,6S)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,3-dihydropyran-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane
• PubChem CID: 11319414
• Molecular Formula: C35H44O5SSi
• Molecular Weight: 604.89 g/mol
• Exact Mass: 604.27
• IUPAC Name: [(E)-5-[(2S,6S)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,3-dihydropyran-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane
• SMILES: CO[C@]1(CCS(=O)(=O)c2ccccc2)C=CC[C@@H](/C=C/CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
• InChI: InChI=1S/C35H44O5SSi/c1-34(2,3)42(32-22-12-6-13-23-32,33-24-14-7-15-25-33)39-28-16-8-9-18-30-19-17-26-35(38-4,40-30)27-29-41(36,37)31-20-10-5-11-21-31/h5-7,9-15,17-18,20-26,30H,8,16,19,27-29H2,1-4H3/b18-9+/t30-,35-/m1/s1
• InChIKey: ONGXPLMTBDYZJQ-DXKUZTSASA-N
• XLogP: 6.45
• TPSA: 61.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.89
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(E)-5-[(2S,6S)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,3-dihydropyran-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane?

The IUPAC name of [(E)-5-[(2S,6S)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,3-dihydropyran-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane (CID 11319414) is [(E)-5-[(2S,6S)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,3-dihydropyran-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane.

What is the SMILES notation for [(E)-5-[(2S,6S)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,3-dihydropyran-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane?

The canonical SMILES for [(E)-5-[(2S,6S)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,3-dihydropyran-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane is CO[C@]1(CCS(=O)(=O)c2ccccc2)C=CC[C@@H](/C=C/CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.

What is the InChIKey of [(E)-5-[(2S,6S)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,3-dihydropyran-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane?

The InChIKey is ONGXPLMTBDYZJQ-DXKUZTSASA-N. The full InChI is InChI=1S/C35H44O5SSi/c1-34(2,3)42(32-22-12-6-13-23-32,33-24-14-7-15-25-33)39-28-16-8-9-18-30-19-17-26-35(38-4,40-30)27-29-41(36,37)31-20-10-5-11-21-31/h5-7,9-15,17-18,20-26,30H,8,16,19,27-29H2,1-4H3/b18-9+/t30-,35-/m1/s1.

What are the key properties of [(E)-5-[(2S,6S)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,3-dihydropyran-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane?

[(E)-5-[(2S,6S)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,3-dihydropyran-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane has a molecular weight of 604.89 g/mol, XLogP of 6.45, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(E)-5-[(2S,6S)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,3-dihydropyran-2-yl]pent-4-enoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 11319414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).