[1-(5-benzoyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)-4-fluorooctan-3-yl]oxy-dimethylsilanylium

C24H36FO5Si+ — CID 20672740

IUPAC[1-(5-benzoyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)-4-fluorooctan-3-yl]oxy-dimethylsilanylium
SMILESCCCCC(F)C(CCC1C(OC(=O)c2ccccc2)CC2OC(=O)CC21)O[SiH2+](C)C
InChIInChI=1S/C24H36FO5Si/c1-4-5-11-19(25)20(30-31(2)3)13-12-17-18-14-23(26)28-22(18)15-21(17)29-24(27)16-9-7-6-8-10-16/h6-10,17-22H,4-5,11-15,31H2,1-3H3/q+1
InChIKeyMCTOXPPOCACUGP-UHFFFAOYSA-N
MW451.63 g/mol
LogP4.57
Rot. Bonds11

About [1-(5-benzoyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)-4-fluorooctan-3-yl]oxy-dimethylsilanylium

[1-(5-benzoyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)-4-fluorooctan-3-yl]oxy-dimethylsilanylium (PubChem CID 20672740) has the molecular formula C24H36FO5Si+ and a molecular weight of 451.63 g/mol. Its IUPAC name is [1-(5-benzoyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)-4-fluorooctan-3-yl]oxy-dimethylsilanylium.

Molecular Properties

Compound Name[1-(5-benzoyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)-4-fluorooctan-3-yl]oxy-dimethylsilanylium
PubChem CID20672740
Molecular FormulaC24H36FO5Si+
Molecular Weight451.63 g/mol
Exact Mass451.23
IUPAC Name[1-(5-benzoyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)-4-fluorooctan-3-yl]oxy-dimethylsilanylium
SMILESCCCCC(F)C(CCC1C(OC(=O)c2ccccc2)CC2OC(=O)CC21)O[SiH2+](C)C
InChIInChI=1S/C24H36FO5Si/c1-4-5-11-19(25)20(30-31(2)3)13-12-17-18-14-23(26)28-22(18)15-21(17)29-24(27)16-9-7-6-8-10-16/h6-10,17-22H,4-5,11-15,31H2,1-3H3/q+1
InChIKeyMCTOXPPOCACUGP-UHFFFAOYSA-N
XLogP4.57
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.63
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-(5-benzoyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)-4-fluorooctan-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 [1-(5-benzoyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)-4-fluorooctan-3-yl]oxy-dimethylsilanylium?
The IUPAC name of [1-(5-benzoyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)-4-fluorooctan-3-yl]oxy-dimethylsilanylium (CID 20672740) is [1-(5-benzoyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)-4-fluorooctan-3-yl]oxy-dimethylsilanylium.
What is the SMILES notation for [1-(5-benzoyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)-4-fluorooctan-3-yl]oxy-dimethylsilanylium?
The canonical SMILES for [1-(5-benzoyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)-4-fluorooctan-3-yl]oxy-dimethylsilanylium is CCCCC(F)C(CCC1C(OC(=O)c2ccccc2)CC2OC(=O)CC21)O[SiH2+](C)C.
What is the InChIKey of [1-(5-benzoyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)-4-fluorooctan-3-yl]oxy-dimethylsilanylium?
The InChIKey is MCTOXPPOCACUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36FO5Si/c1-4-5-11-19(25)20(30-31(2)3)13-12-17-18-14-23(26)28-22(18)15-21(17)29-24(27)16-9-7-6-8-10-16/h6-10,17-22H,4-5,11-15,31H2,1-3H3/q+1.
What are the key properties of [1-(5-benzoyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)-4-fluorooctan-3-yl]oxy-dimethylsilanylium?
[1-(5-benzoyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)-4-fluorooctan-3-yl]oxy-dimethylsilanylium has a molecular weight of 451.63 g/mol, XLogP of 4.57, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-benzoyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)-4-fluorooctan-3-yl]oxy-dimethylsilanylium is sourced from PubChem (CID 20672740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).