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

C17H33FO4PSi+ — CID 20672764

IUPAC[4-fluoro-1-(2-oxo-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium
SMILESCCCCC(F)C(CCC1C(OP)CC2OC(=O)CC21)O[SiH2+](C)C
InChIInChI=1S/C17H33FO4PSi/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/h11-16H,4-10,23-24H2,1-3H3/q+1
InChIKeyRJLIVYLGIVKBOP-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.52
Rot. Bonds10

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

[4-fluoro-1-(2-oxo-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium (PubChem CID 20672764) has the molecular formula C17H33FO4PSi+ and a molecular weight of 379.51 g/mol. Its IUPAC name is [4-fluoro-1-(2-oxo-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium.

Molecular Properties

Compound Name[4-fluoro-1-(2-oxo-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium
PubChem CID20672764
Molecular FormulaC17H33FO4PSi+
Molecular Weight379.51 g/mol
Exact Mass379.19
IUPAC Name[4-fluoro-1-(2-oxo-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium
SMILESCCCCC(F)C(CCC1C(OP)CC2OC(=O)CC21)O[SiH2+](C)C
InChIInChI=1S/C17H33FO4PSi/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/h11-16H,4-10,23-24H2,1-3H3/q+1
InChIKeyRJLIVYLGIVKBOP-UHFFFAOYSA-N
XLogP3.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-fluoro-1-(2-oxo-5-phosphanyloxy-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

(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
[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
(3S,3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxyoctyl]-3-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 56628355
(3aS,4S,5S,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooctyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 56975593
(4R)-4-(4,4-difluoro-3-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59944036
(4R)-4-(4,4-difluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59944039
(4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59963489
(4R)-4-(4-fluoro-3-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59963491
(3aR,4R,5R,6aS)-4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 67703180
(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-ynyl]-3-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 69963594
(3R,3aS,4S,5S,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxyoctyl]-3-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 70430627

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-1-(2-oxo-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium?
The IUPAC name of [4-fluoro-1-(2-oxo-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium (CID 20672764) is [4-fluoro-1-(2-oxo-5-phosphanyloxy-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-(2-oxo-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium?
The canonical SMILES for [4-fluoro-1-(2-oxo-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[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-oxo-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium?
The InChIKey is RJLIVYLGIVKBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33FO4PSi/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/h11-16H,4-10,23-24H2,1-3H3/q+1.
What are the key properties of [4-fluoro-1-(2-oxo-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium?
[4-fluoro-1-(2-oxo-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium has a molecular weight of 379.51 g/mol, XLogP of 3.52, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-1-(2-oxo-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium is sourced from PubChem (CID 20672764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).