[4-fluoro-1-[(1S)-2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium

C23H44FO2Si+ — CID 90908220

About [4-fluoro-1-[(1S)-2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium

[4-fluoro-1-[(1S)-2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium (PubChem CID 90908220) has the molecular formula C23H44FO2Si+ and a molecular weight of 399.69 g/mol. Its IUPAC name is [4-fluoro-1-[(1S)-2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium.

Molecular Properties

• Compound Name: [4-fluoro-1-[(1S)-2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium
• PubChem CID: 90908220
• Molecular Formula: C23H44FO2Si+
• Molecular Weight: 399.69 g/mol
• Exact Mass: 399.31
• IUPAC Name: [4-fluoro-1-[(1S)-2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium
• SMILES: CCCC/C=C\CC1C(=O)CC(C)[C@@H]1CCC(O[SiH2+](C)C)C(F)CCCC
• InChI: InChI=1S/C23H44FO2Si/c1-6-8-10-11-12-13-20-19(18(3)17-22(20)25)15-16-23(26-27(4)5)21(24)14-9-7-2/h11-12,18-21,23H,6-10,13-17,27H2,1-5H3/q+1/b12-11-/t18?,19-,20?,21?,23?/m0/s1
• InChIKey: REIZQPNNQKOLTQ-JOQNFZOASA-N
• XLogP: 6.37
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.69
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 [4-fluoro-1-[(1S)-2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium?

The IUPAC name of [4-fluoro-1-[(1S)-2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium (CID 90908220) is [4-fluoro-1-[(1S)-2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium.

What is the SMILES notation for [4-fluoro-1-[(1S)-2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium?

The canonical SMILES for [4-fluoro-1-[(1S)-2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium is CCCC/C=C\CC1C(=O)CC(C)[C@@H]1CCC(O[SiH2+](C)C)C(F)CCCC.

What is the InChIKey of [4-fluoro-1-[(1S)-2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium?

The InChIKey is REIZQPNNQKOLTQ-JOQNFZOASA-N. The full InChI is InChI=1S/C23H44FO2Si/c1-6-8-10-11-12-13-20-19(18(3)17-22(20)25)15-16-23(26-27(4)5)21(24)14-9-7-2/h11-12,18-21,23H,6-10,13-17,27H2,1-5H3/q+1/b12-11-/t18?,19-,20?,21?,23?/m0/s1.

What are the key properties of [4-fluoro-1-[(1S)-2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium?

[4-fluoro-1-[(1S)-2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium has a molecular weight of 399.69 g/mol, XLogP of 6.37, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [4-fluoro-1-[(1S)-2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium is sourced from PubChem (CID 90908220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).