[1-[2-(6-carboxyhex-2-enyl)-3-hydroxy-5-phosphanyloxycyclopentyl]-4-fluorooctan-3-yl]oxy-dimethylsilanylium

C22H43FO5PSi+ — CID 91588190

IUPAC[1-[2-(6-carboxyhex-2-enyl)-3-hydroxy-5-phosphanyloxycyclopentyl]-4-fluorooctan-3-yl]oxy-dimethylsilanylium
SMILESCCCCC(F)C(CCC1C(OP)CC(O)C1CC=CCCCC(=O)O)O[SiH2+](C)C
InChIInChI=1S/C22H43FO5PSi/c1-4-5-11-18(23)20(28-30(2)3)14-13-17-16(19(24)15-21(17)27-29)10-8-6-7-9-12-22(25)26/h6,8,16-21,24H,4-5,7,9-15,29-30H2,1-3H3,(H,25,26)/q+1
InChIKeyXUBNZNIEVMVEOA-UHFFFAOYSA-N
MW465.64 g/mol
LogP4.77
Rot. Bonds16

About [1-[2-(6-carboxyhex-2-enyl)-3-hydroxy-5-phosphanyloxycyclopentyl]-4-fluorooctan-3-yl]oxy-dimethylsilanylium

[1-[2-(6-carboxyhex-2-enyl)-3-hydroxy-5-phosphanyloxycyclopentyl]-4-fluorooctan-3-yl]oxy-dimethylsilanylium (PubChem CID 91588190) has the molecular formula C22H43FO5PSi+ and a molecular weight of 465.64 g/mol. Its IUPAC name is [1-[2-(6-carboxyhex-2-enyl)-3-hydroxy-5-phosphanyloxycyclopentyl]-4-fluorooctan-3-yl]oxy-dimethylsilanylium.

Molecular Properties

Compound Name[1-[2-(6-carboxyhex-2-enyl)-3-hydroxy-5-phosphanyloxycyclopentyl]-4-fluorooctan-3-yl]oxy-dimethylsilanylium
PubChem CID91588190
Molecular FormulaC22H43FO5PSi+
Molecular Weight465.64 g/mol
Exact Mass465.26
IUPAC Name[1-[2-(6-carboxyhex-2-enyl)-3-hydroxy-5-phosphanyloxycyclopentyl]-4-fluorooctan-3-yl]oxy-dimethylsilanylium
SMILESCCCCC(F)C(CCC1C(OP)CC(O)C1CC=CCCCC(=O)O)O[SiH2+](C)C
InChIInChI=1S/C22H43FO5PSi/c1-4-5-11-18(23)20(28-30(2)3)14-13-17-16(19(24)15-21(17)27-29)10-8-6-7-9-12-22(25)26/h6,8,16-21,24H,4-5,7,9-15,29-30H2,1-3H3,(H,25,26)/q+1
InChIKeyXUBNZNIEVMVEOA-UHFFFAOYSA-N
XLogP4.77
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [1-[2-(6-carboxyhex-2-enyl)-3-hydroxy-5-phosphanyloxycyclopentyl]-4-fluorooctan-3-yl]oxy-dimethylsilanylium with MolForge

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Related Compounds

13,14-Dihydro-PGF2alpha
CID 5283080
(E)-7-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]hept-5-enoic acid
CID 6434009
methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]hept-5-enoate
CID 10451825
methyl (Z)-7-[(1S,2S,3R,5S)-2-fluoro-3,5-dihydroxy-2-[(3R)-3-hydroxyoctyl]cyclopentyl]hept-5-enoate
CID 24843992
methyl (Z)-7-[(1S,2S,3R,5S)-2-fluoro-3,5-dihydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]hept-5-enoate
CID 44380964
7-[3,5-Dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]hept-5-enoic acid
CID 33799
13,14-dihydro-16,16-difluoro Prostaglandin F2alpha
CID 52224391
(7R)-7-[(1S,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctyl]cyclopentyl]-7-fluorohept-5-enoic acid
CID 57043936
(7R)-7-[(1S,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooctyl]cyclopentyl]-7-fluorohept-5-enoic acid
CID 57155535
(7R)-7-[(1S,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooctyl]cyclopentyl]-7-fluorohept-5-enoic acid
CID 57164357
methyl (Z)-7-[(1R,2S)-3-fluoro-2-(hydroxymethyl)-5-phosphanyloxycyclopentyl]hept-5-enoate
CID 59878818
(Z)-7-[(2R)-2-(4,4-difluoro-3-hydroxyoctyl)-5-hydroxy-3-phosphanyloxycyclopentyl]hept-5-enoic acid
CID 59944033

Frequently Asked Questions

What is the IUPAC name of [1-[2-(6-carboxyhex-2-enyl)-3-hydroxy-5-phosphanyloxycyclopentyl]-4-fluorooctan-3-yl]oxy-dimethylsilanylium?
The IUPAC name of [1-[2-(6-carboxyhex-2-enyl)-3-hydroxy-5-phosphanyloxycyclopentyl]-4-fluorooctan-3-yl]oxy-dimethylsilanylium (CID 91588190) is [1-[2-(6-carboxyhex-2-enyl)-3-hydroxy-5-phosphanyloxycyclopentyl]-4-fluorooctan-3-yl]oxy-dimethylsilanylium.
What is the SMILES notation for [1-[2-(6-carboxyhex-2-enyl)-3-hydroxy-5-phosphanyloxycyclopentyl]-4-fluorooctan-3-yl]oxy-dimethylsilanylium?
The canonical SMILES for [1-[2-(6-carboxyhex-2-enyl)-3-hydroxy-5-phosphanyloxycyclopentyl]-4-fluorooctan-3-yl]oxy-dimethylsilanylium is CCCCC(F)C(CCC1C(OP)CC(O)C1CC=CCCCC(=O)O)O[SiH2+](C)C.
What is the InChIKey of [1-[2-(6-carboxyhex-2-enyl)-3-hydroxy-5-phosphanyloxycyclopentyl]-4-fluorooctan-3-yl]oxy-dimethylsilanylium?
The InChIKey is XUBNZNIEVMVEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43FO5PSi/c1-4-5-11-18(23)20(28-30(2)3)14-13-17-16(19(24)15-21(17)27-29)10-8-6-7-9-12-22(25)26/h6,8,16-21,24H,4-5,7,9-15,29-30H2,1-3H3,(H,25,26)/q+1.
What are the key properties of [1-[2-(6-carboxyhex-2-enyl)-3-hydroxy-5-phosphanyloxycyclopentyl]-4-fluorooctan-3-yl]oxy-dimethylsilanylium?
[1-[2-(6-carboxyhex-2-enyl)-3-hydroxy-5-phosphanyloxycyclopentyl]-4-fluorooctan-3-yl]oxy-dimethylsilanylium has a molecular weight of 465.64 g/mol, XLogP of 4.77, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(6-carboxyhex-2-enyl)-3-hydroxy-5-phosphanyloxycyclopentyl]-4-fluorooctan-3-yl]oxy-dimethylsilanylium is sourced from PubChem (CID 91588190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).