[4-fluoro-1-(2-hydroxy-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium

C17H35FO4PSi+ — CID 20672763

About [4-fluoro-1-(2-hydroxy-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium

[4-fluoro-1-(2-hydroxy-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium (PubChem CID 20672763) has the molecular formula C17H35FO4PSi+ and a molecular weight of 381.52 g/mol. Its IUPAC name is [4-fluoro-1-(2-hydroxy-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium.

Molecular Properties

• Compound Name: [4-fluoro-1-(2-hydroxy-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium
• PubChem CID: 20672763
• Molecular Formula: C17H35FO4PSi+
• Molecular Weight: 381.52 g/mol
• Exact Mass: 381.20
• IUPAC Name: [4-fluoro-1-(2-hydroxy-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium
• SMILES: CCCCC(F)C(CCC1C(OP)CC2OC(O)CC21)O[SiH2+](C)C
• InChI: InChI=1S/C17H35FO4PSi/c1-4-5-6-13(18)14(22-24(2)3)8-7-11-12-9-17(19)20-15(12)10-16(11)21-23/h11-17,19H,4-10,23-24H2,1-3H3/q+1
• InChIKey: YRQKMKYBCBWUDN-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.52
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-1-(2-hydroxy-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium?

The IUPAC name of [4-fluoro-1-(2-hydroxy-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium (CID 20672763) is [4-fluoro-1-(2-hydroxy-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium.

What is the SMILES notation for [4-fluoro-1-(2-hydroxy-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium?

The canonical SMILES for [4-fluoro-1-(2-hydroxy-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium is CCCCC(F)C(CCC1C(OP)CC2OC(O)CC21)O[SiH2+](C)C.

What is the InChIKey of [4-fluoro-1-(2-hydroxy-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium?

The InChIKey is YRQKMKYBCBWUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35FO4PSi/c1-4-5-6-13(18)14(22-24(2)3)8-7-11-12-9-17(19)20-15(12)10-16(11)21-23/h11-17,19H,4-10,23-24H2,1-3H3/q+1.

What are the key properties of [4-fluoro-1-(2-hydroxy-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium?

[4-fluoro-1-(2-hydroxy-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium has a molecular weight of 381.52 g/mol, XLogP of 3.31, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-fluoro-1-(2-hydroxy-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium is sourced from PubChem (CID 20672763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).