(6R)-6-[(1S)-1-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,2-dimethyl-5,6-dihydrooxasiline

C22H33IO4Si — CID 11477851

About (6R)-6-[(1S)-1-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,2-dimethyl-5,6-dihydrooxasiline

(6R)-6-[(1S)-1-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,2-dimethyl-5,6-dihydrooxasiline (PubChem CID 11477851) has the molecular formula C22H33IO4Si and a molecular weight of 516.49 g/mol. Its IUPAC name is (6R)-6-[(1S)-1-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,2-dimethyl-5,6-dihydrooxasiline.

Molecular Properties

• Compound Name: (6R)-6-[(1S)-1-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,2-dimethyl-5,6-dihydrooxasiline
• PubChem CID: 11477851
• Molecular Formula: C22H33IO4Si
• Molecular Weight: 516.49 g/mol
• Exact Mass: 516.12
• IUPAC Name: (6R)-6-[(1S)-1-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,2-dimethyl-5,6-dihydrooxasiline
• SMILES: CC[C@@H](/C=C\I)O[C@@H](CCOCc1ccc(OC)cc1)[C@H]1CC=C[Si](C)(C)O1
• InChI: InChI=1S/C22H33IO4Si/c1-5-19(12-14-23)26-21(22-7-6-16-28(3,4)27-22)13-15-25-17-18-8-10-20(24-2)11-9-18/h6,8-12,14,16,19,21-22H,5,7,13,15,17H2,1-4H3/b14-12-/t19-,21-,22+/m0/s1
• InChIKey: UFIDDBDGEZCAJF-RENWPJESSA-N
• XLogP: 5.80
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.49
LogP ≤ 5	5.80
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'}

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(1S)-1-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,2-dimethyl-5,6-dihydrooxasiline?

The IUPAC name of (6R)-6-[(1S)-1-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,2-dimethyl-5,6-dihydrooxasiline (CID 11477851) is (6R)-6-[(1S)-1-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,2-dimethyl-5,6-dihydrooxasiline.

What is the SMILES notation for (6R)-6-[(1S)-1-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,2-dimethyl-5,6-dihydrooxasiline?

The canonical SMILES for (6R)-6-[(1S)-1-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,2-dimethyl-5,6-dihydrooxasiline is CC[C@@H](/C=C\I)O[C@@H](CCOCc1ccc(OC)cc1)[C@H]1CC=C[Si](C)(C)O1.

What is the InChIKey of (6R)-6-[(1S)-1-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,2-dimethyl-5,6-dihydrooxasiline?

The InChIKey is UFIDDBDGEZCAJF-RENWPJESSA-N. The full InChI is InChI=1S/C22H33IO4Si/c1-5-19(12-14-23)26-21(22-7-6-16-28(3,4)27-22)13-15-25-17-18-8-10-20(24-2)11-9-18/h6,8-12,14,16,19,21-22H,5,7,13,15,17H2,1-4H3/b14-12-/t19-,21-,22+/m0/s1.

What are the key properties of (6R)-6-[(1S)-1-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,2-dimethyl-5,6-dihydrooxasiline?

(6R)-6-[(1S)-1-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,2-dimethyl-5,6-dihydrooxasiline has a molecular weight of 516.49 g/mol, XLogP of 5.80, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-6-[(1S)-1-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,2-dimethyl-5,6-dihydrooxasiline is sourced from PubChem (CID 11477851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).