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

C17H32FO4Si+ — CID 20672766

IUPAC[4-fluoro-1-(5-hydroxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium
SMILESCCCCC(F)C(CCC1C(O)CC2OC(=O)CC21)O[SiH2+](C)C
InChIInChI=1S/C17H32FO4Si/c1-4-5-6-13(18)15(22-23(2)3)8-7-11-12-9-17(20)21-16(12)10-14(11)19/h11-16,19H,4-10,23H2,1-3H3/q+1
InChIKeyQEOGZGMKBZGRBC-UHFFFAOYSA-N
MW347.52 g/mol
LogP2.71
Rot. Bonds9

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

[4-fluoro-1-(5-hydroxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium (PubChem CID 20672766) has the molecular formula C17H32FO4Si+ and a molecular weight of 347.52 g/mol. Its IUPAC name is [4-fluoro-1-(5-hydroxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium.

Molecular Properties

Compound Name[4-fluoro-1-(5-hydroxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium
PubChem CID20672766
Molecular FormulaC17H32FO4Si+
Molecular Weight347.52 g/mol
Exact Mass347.20
IUPAC Name[4-fluoro-1-(5-hydroxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium
SMILESCCCCC(F)C(CCC1C(O)CC2OC(=O)CC21)O[SiH2+](C)C
InChIInChI=1S/C17H32FO4Si/c1-4-5-6-13(18)15(22-23(2)3)8-7-11-12-9-17(20)21-16(12)10-14(11)19/h11-16,19H,4-10,23H2,1-3H3/q+1
InChIKeyQEOGZGMKBZGRBC-UHFFFAOYSA-N
XLogP2.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.52
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-fluoro-1-(5-hydroxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium with MolForge

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Launch Full Analysis

Related Compounds

Pestalotiolactone A
CID 132496982
Pestalotiolactone D
CID 146683067
(3aR,4S,5R,6aS)-5-[fluoro(dimethyl)silyl]-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 162415963
(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl acetate
CID 10889249
(3aR,4S,5R,6aS)-4-(Hydroxymethyl)-5-((triethylsilyl)oxy)hexahydro-2H-cyclopenta[b]furan-2-one
CID 16038579
(3aR,4S,5R,6aS)-Hexahydro-4-(hydroxymethyl)-5-methoxy-2H-cyclopentafuran-2-one
CID 25020819
(3aS,5S,6aR)-5-hydroxy-3a,4,4-trimethyl-3,5,6,6a-tetrahydrocyclopenta[b]furan-2-one
CID 122400506
(3aR,4S,5R,6aS)-4-(tert-Butyldimethylsilyloxy)methyl-5-hydroxy-hexahydro-2H-cyclopenta[b]furan-2-one
CID 10613232
(1S,5R,6R,7R)-6-[4(RS)-fluoro-3-oxo-1-octyl]-7-hydroxy-2-oxabicyclo[3.3.0]octane-3-one
CID 14855204
(3aR,4R,5R,6aS)-4-[4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 18652542
(3aR,4R,5R,6aS)-4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 18652543
[(3aR,4R,5R,6aS)-4-(5,5-difluoro-4-hydroxyoctyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] acetate
CID 18652545

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-1-(5-hydroxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium?
The IUPAC name of [4-fluoro-1-(5-hydroxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium (CID 20672766) is [4-fluoro-1-(5-hydroxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium.
What is the SMILES notation for [4-fluoro-1-(5-hydroxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium?
The canonical SMILES for [4-fluoro-1-(5-hydroxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium is CCCCC(F)C(CCC1C(O)CC2OC(=O)CC21)O[SiH2+](C)C.
What is the InChIKey of [4-fluoro-1-(5-hydroxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium?
The InChIKey is QEOGZGMKBZGRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32FO4Si/c1-4-5-6-13(18)15(22-23(2)3)8-7-11-12-9-17(20)21-16(12)10-14(11)19/h11-16,19H,4-10,23H2,1-3H3/q+1.
What are the key properties of [4-fluoro-1-(5-hydroxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium?
[4-fluoro-1-(5-hydroxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium has a molecular weight of 347.52 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-1-(5-hydroxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium is sourced from PubChem (CID 20672766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).