ethenyl-[(4R,5S)-5-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-7-[(4-methoxyphenyl)methoxy]hept-1-en-4-yl]oxy-dimethylsilane

C24H37IO4Si — CID 11410168

About ethenyl-[(4R,5S)-5-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-7-[(4-methoxyphenyl)methoxy]hept-1-en-4-yl]oxy-dimethylsilane

ethenyl-[(4R,5S)-5-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-7-[(4-methoxyphenyl)methoxy]hept-1-en-4-yl]oxy-dimethylsilane (PubChem CID 11410168) has the molecular formula C24H37IO4Si and a molecular weight of 544.55 g/mol. Its IUPAC name is ethenyl-[(4R,5S)-5-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-7-[(4-methoxyphenyl)methoxy]hept-1-en-4-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: ethenyl-[(4R,5S)-5-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-7-[(4-methoxyphenyl)methoxy]hept-1-en-4-yl]oxy-dimethylsilane
• PubChem CID: 11410168
• Molecular Formula: C24H37IO4Si
• Molecular Weight: 544.55 g/mol
• Exact Mass: 544.15
• IUPAC Name: ethenyl-[(4R,5S)-5-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-7-[(4-methoxyphenyl)methoxy]hept-1-en-4-yl]oxy-dimethylsilane
• SMILES: C=CC[C@@H](O[Si](C)(C)C=C)[C@H](CCOCc1ccc(OC)cc1)O[C@H](/C=C\I)CC
• InChI: InChI=1S/C24H37IO4Si/c1-7-10-24(29-30(5,6)9-3)23(28-21(8-2)15-17-25)16-18-27-19-20-11-13-22(26-4)14-12-20/h7,9,11-15,17,21,23-24H,1,3,8,10,16,18-19H2,2,4-6H3/b17-15-/t21-,23-,24+/m0/s1
• InChIKey: DARVXECVMKSVDA-VYORFDSKSA-N
• XLogP: 6.61
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.55
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethenyl-[(4R,5S)-5-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-7-[(4-methoxyphenyl)methoxy]hept-1-en-4-yl]oxy-dimethylsilane?

The IUPAC name of ethenyl-[(4R,5S)-5-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-7-[(4-methoxyphenyl)methoxy]hept-1-en-4-yl]oxy-dimethylsilane (CID 11410168) is ethenyl-[(4R,5S)-5-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-7-[(4-methoxyphenyl)methoxy]hept-1-en-4-yl]oxy-dimethylsilane.

What is the SMILES notation for ethenyl-[(4R,5S)-5-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-7-[(4-methoxyphenyl)methoxy]hept-1-en-4-yl]oxy-dimethylsilane?

The canonical SMILES for ethenyl-[(4R,5S)-5-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-7-[(4-methoxyphenyl)methoxy]hept-1-en-4-yl]oxy-dimethylsilane is C=CC[C@@H](O[Si](C)(C)C=C)[C@H](CCOCc1ccc(OC)cc1)O[C@H](/C=C\I)CC.

What is the InChIKey of ethenyl-[(4R,5S)-5-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-7-[(4-methoxyphenyl)methoxy]hept-1-en-4-yl]oxy-dimethylsilane?

The InChIKey is DARVXECVMKSVDA-VYORFDSKSA-N. The full InChI is InChI=1S/C24H37IO4Si/c1-7-10-24(29-30(5,6)9-3)23(28-21(8-2)15-17-25)16-18-27-19-20-11-13-22(26-4)14-12-20/h7,9,11-15,17,21,23-24H,1,3,8,10,16,18-19H2,2,4-6H3/b17-15-/t21-,23-,24+/m0/s1.

What are the key properties of ethenyl-[(4R,5S)-5-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-7-[(4-methoxyphenyl)methoxy]hept-1-en-4-yl]oxy-dimethylsilane?

ethenyl-[(4R,5S)-5-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-7-[(4-methoxyphenyl)methoxy]hept-1-en-4-yl]oxy-dimethylsilane has a molecular weight of 544.55 g/mol, XLogP of 6.61, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethenyl-[(4R,5S)-5-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-7-[(4-methoxyphenyl)methoxy]hept-1-en-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 11410168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).