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

C22H40FO2Si+ — CID 91017296

IUPAC[4-fluoro-1-[(1S)-5-[(Z)-hept-2-enyl]-4-oxocyclopent-2-en-1-yl]octan-3-yl]oxy-dimethylsilanylium
SMILESCCCC/C=C\CC1C(=O)C=C[C@@H]1CCC(O[SiH2+](C)C)C(F)CCCC
InChIInChI=1S/C22H40FO2Si/c1-5-7-9-10-11-12-19-18(14-16-21(19)24)15-17-22(25-26(3)4)20(23)13-8-6-2/h10-11,14,16,18-20,22H,5-9,12-13,15,17,26H2,1-4H3/q+1/b11-10-/t18-,19?,20?,22?/m1/s1
InChIKeyYXVDABOLRQGNTK-XQTIEFGSSA-N
MW383.64 g/mol
LogP5.90
Rot. Bonds14

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

[4-fluoro-1-[(1S)-5-[(Z)-hept-2-enyl]-4-oxocyclopent-2-en-1-yl]octan-3-yl]oxy-dimethylsilanylium (PubChem CID 91017296) has the molecular formula C22H40FO2Si+ and a molecular weight of 383.64 g/mol. Its IUPAC name is [4-fluoro-1-[(1S)-5-[(Z)-hept-2-enyl]-4-oxocyclopent-2-en-1-yl]octan-3-yl]oxy-dimethylsilanylium.

Molecular Properties

Compound Name[4-fluoro-1-[(1S)-5-[(Z)-hept-2-enyl]-4-oxocyclopent-2-en-1-yl]octan-3-yl]oxy-dimethylsilanylium
PubChem CID91017296
Molecular FormulaC22H40FO2Si+
Molecular Weight383.64 g/mol
Exact Mass383.28
IUPAC Name[4-fluoro-1-[(1S)-5-[(Z)-hept-2-enyl]-4-oxocyclopent-2-en-1-yl]octan-3-yl]oxy-dimethylsilanylium
SMILESCCCC/C=C\CC1C(=O)C=C[C@@H]1CCC(O[SiH2+](C)C)C(F)CCCC
InChIInChI=1S/C22H40FO2Si/c1-5-7-9-10-11-12-19-18(14-16-21(19)24)15-17-22(25-26(3)4)20(23)13-8-6-2/h10-11,14,16,18-20,22H,5-9,12-13,15,17,26H2,1-4H3/q+1/b11-10-/t18-,19?,20?,22?/m1/s1
InChIKeyYXVDABOLRQGNTK-XQTIEFGSSA-N
XLogP5.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.64
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze [4-fluoro-1-[(1S)-5-[(Z)-hept-2-enyl]-4-oxocyclopent-2-en-1-yl]octan-3-yl]oxy-dimethylsilanylium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-1-[(1S)-5-[(Z)-hept-2-enyl]-4-oxocyclopent-2-en-1-yl]octan-3-yl]oxy-dimethylsilanylium?
The IUPAC name of [4-fluoro-1-[(1S)-5-[(Z)-hept-2-enyl]-4-oxocyclopent-2-en-1-yl]octan-3-yl]oxy-dimethylsilanylium (CID 91017296) is [4-fluoro-1-[(1S)-5-[(Z)-hept-2-enyl]-4-oxocyclopent-2-en-1-yl]octan-3-yl]oxy-dimethylsilanylium.
What is the SMILES notation for [4-fluoro-1-[(1S)-5-[(Z)-hept-2-enyl]-4-oxocyclopent-2-en-1-yl]octan-3-yl]oxy-dimethylsilanylium?
The canonical SMILES for [4-fluoro-1-[(1S)-5-[(Z)-hept-2-enyl]-4-oxocyclopent-2-en-1-yl]octan-3-yl]oxy-dimethylsilanylium is CCCC/C=C\CC1C(=O)C=C[C@@H]1CCC(O[SiH2+](C)C)C(F)CCCC.
What is the InChIKey of [4-fluoro-1-[(1S)-5-[(Z)-hept-2-enyl]-4-oxocyclopent-2-en-1-yl]octan-3-yl]oxy-dimethylsilanylium?
The InChIKey is YXVDABOLRQGNTK-XQTIEFGSSA-N. The full InChI is InChI=1S/C22H40FO2Si/c1-5-7-9-10-11-12-19-18(14-16-21(19)24)15-17-22(25-26(3)4)20(23)13-8-6-2/h10-11,14,16,18-20,22H,5-9,12-13,15,17,26H2,1-4H3/q+1/b11-10-/t18-,19?,20?,22?/m1/s1.
What are the key properties of [4-fluoro-1-[(1S)-5-[(Z)-hept-2-enyl]-4-oxocyclopent-2-en-1-yl]octan-3-yl]oxy-dimethylsilanylium?
[4-fluoro-1-[(1S)-5-[(Z)-hept-2-enyl]-4-oxocyclopent-2-en-1-yl]octan-3-yl]oxy-dimethylsilanylium has a molecular weight of 383.64 g/mol, XLogP of 5.90, 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)-5-[(Z)-hept-2-enyl]-4-oxocyclopent-2-en-1-yl]octan-3-yl]oxy-dimethylsilanylium is sourced from PubChem (CID 91017296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).