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

C17H32F2O4PSi+ — CID 90774629

IUPAC[4,4-difluoro-1-[(4R)-2-oxo-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]octan-3-yl]oxy-dimethylsilanylium
SMILESCCCCC(F)(F)C(CC[C@H]1C(OP)CC2OC(=O)CC21)O[SiH2+](C)C
InChIInChI=1S/C17H32F2O4PSi/c1-4-5-8-17(18,19)15(23-25(2)3)7-6-11-12-9-16(20)21-13(12)10-14(11)22-24/h11-15H,4-10,24-25H2,1-3H3/q+1/t11-,12?,13?,14?,15?/m1/s1
InChIKeyZFJISOOKBGDAJB-SHIHICALSA-N
MW397.50 g/mol
LogP3.82
Rot. Bonds10

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

[4,4-difluoro-1-[(4R)-2-oxo-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]octan-3-yl]oxy-dimethylsilanylium (PubChem CID 90774629) has the molecular formula C17H32F2O4PSi+ and a molecular weight of 397.50 g/mol. Its IUPAC name is [4,4-difluoro-1-[(4R)-2-oxo-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]octan-3-yl]oxy-dimethylsilanylium.

Molecular Properties

Compound Name[4,4-difluoro-1-[(4R)-2-oxo-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]octan-3-yl]oxy-dimethylsilanylium
PubChem CID90774629
Molecular FormulaC17H32F2O4PSi+
Molecular Weight397.50 g/mol
Exact Mass397.18
IUPAC Name[4,4-difluoro-1-[(4R)-2-oxo-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]octan-3-yl]oxy-dimethylsilanylium
SMILESCCCCC(F)(F)C(CC[C@H]1C(OP)CC2OC(=O)CC21)O[SiH2+](C)C
InChIInChI=1S/C17H32F2O4PSi/c1-4-5-8-17(18,19)15(23-25(2)3)7-6-11-12-9-16(20)21-13(12)10-14(11)22-24/h11-15H,4-10,24-25H2,1-3H3/q+1/t11-,12?,13?,14?,15?/m1/s1
InChIKeyZFJISOOKBGDAJB-SHIHICALSA-N
XLogP3.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.82
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 [4,4-difluoro-1-[(4R)-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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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
(3aR,4R,5R,6aS)-4-[4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 18652544
[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
[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
(3aR,4R,5R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorodecyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59910736
(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-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorodecyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59958164
(4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59963489

Frequently Asked Questions

What is the IUPAC name of [4,4-difluoro-1-[(4R)-2-oxo-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]octan-3-yl]oxy-dimethylsilanylium?
The IUPAC name of [4,4-difluoro-1-[(4R)-2-oxo-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]octan-3-yl]oxy-dimethylsilanylium (CID 90774629) is [4,4-difluoro-1-[(4R)-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 [4,4-difluoro-1-[(4R)-2-oxo-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]octan-3-yl]oxy-dimethylsilanylium?
The canonical SMILES for [4,4-difluoro-1-[(4R)-2-oxo-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]octan-3-yl]oxy-dimethylsilanylium is CCCCC(F)(F)C(CC[C@H]1C(OP)CC2OC(=O)CC21)O[SiH2+](C)C.
What is the InChIKey of [4,4-difluoro-1-[(4R)-2-oxo-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]octan-3-yl]oxy-dimethylsilanylium?
The InChIKey is ZFJISOOKBGDAJB-SHIHICALSA-N. The full InChI is InChI=1S/C17H32F2O4PSi/c1-4-5-8-17(18,19)15(23-25(2)3)7-6-11-12-9-16(20)21-13(12)10-14(11)22-24/h11-15H,4-10,24-25H2,1-3H3/q+1/t11-,12?,13?,14?,15?/m1/s1.
What are the key properties of [4,4-difluoro-1-[(4R)-2-oxo-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]octan-3-yl]oxy-dimethylsilanylium?
[4,4-difluoro-1-[(4R)-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 397.50 g/mol, XLogP of 3.82, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-difluoro-1-[(4R)-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 90774629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).