[4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3-hydroxy-5-phosphanyloxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium

C22H45FO3PSi+ — CID 90814847

IUPAC[4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3-hydroxy-5-phosphanyloxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium
SMILESCCCC/C=C\CC1C(O)CC(OP)[C@@H]1CCC(O[SiH2+](C)C)C(F)CCCC
InChIInChI=1S/C22H45FO3PSi/c1-5-7-9-10-11-12-17-18(22(25-27)16-20(17)24)14-15-21(26-28(3)4)19(23)13-8-6-2/h10-11,17-22,24H,5-9,12-16,27-28H2,1-4H3/q+1/b11-10-/t17?,18-,19?,20?,21?,22?/m1/s1
InChIKeyYZEXFGQAGISKLY-CYXGNIFXSA-N
MW435.66 g/mol
LogP5.70
Rot. Bonds15

About [4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3-hydroxy-5-phosphanyloxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium

[4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3-hydroxy-5-phosphanyloxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium (PubChem CID 90814847) has the molecular formula C22H45FO3PSi+ and a molecular weight of 435.66 g/mol. Its IUPAC name is [4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3-hydroxy-5-phosphanyloxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium.

Molecular Properties

Compound Name[4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3-hydroxy-5-phosphanyloxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium
PubChem CID90814847
Molecular FormulaC22H45FO3PSi+
Molecular Weight435.66 g/mol
Exact Mass435.29
IUPAC Name[4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3-hydroxy-5-phosphanyloxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium
SMILESCCCC/C=C\CC1C(O)CC(OP)[C@@H]1CCC(O[SiH2+](C)C)C(F)CCCC
InChIInChI=1S/C22H45FO3PSi/c1-5-7-9-10-11-12-17-18(22(25-27)16-20(17)24)14-15-21(26-28(3)4)19(23)13-8-6-2/h10-11,17-22,24H,5-9,12-16,27-28H2,1-4H3/q+1/b11-10-/t17?,18-,19?,20?,21?,22?/m1/s1
InChIKeyYZEXFGQAGISKLY-CYXGNIFXSA-N
XLogP5.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.66
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3-hydroxy-5-phosphanyloxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium with MolForge

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Launch Full Analysis

Related Compounds

[(1S,2R)-5-fluoro-2-[(Z)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol
CID 59878786
[(1S,2R)-5-fluoro-2-[(Z)-hept-3-enyl]-3-phosphanyloxycyclopentyl]methanol
CID 59878800
(3R)-3-(4,4-difluoro-3-hydroxyoctyl)-2-[(Z)-hept-2-enyl]-4-phosphanyloxycyclopentan-1-ol
CID 59944040
(3R)-3-(4-fluoro-3-hydroxyoctyl)-2-[(Z)-hept-2-enyl]-4-phosphanyloxycyclopentan-1-ol
CID 59963445
[4,4-difluoro-1-[(1R)-3-hydroxy-2-(7-methoxy-7-oxohept-2-enyl)-5-phosphanyloxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium
CID 91431850
[1-[2-(6-Carboxyhex-2-enyl)-3-hydroxy-5-phosphanyloxycyclopentyl]-4-fluorooctan-3-yl]oxy-dimethylsilanylium
CID 91588190
[4,4-difluoro-1-[(1R)-3-hydroxy-2-[(Z)-7-methoxy-7-oxohept-2-enyl]-5-phosphanyloxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium
CID 145817514
[1-[2-[(Z)-6-carboxyhex-2-enyl]-3-hydroxy-5-phosphanyloxycyclopentyl]-4-fluorooctan-3-yl]oxy-dimethylsilanylium
CID 145817515
[1-[(1R)-2-[(Z)-7-ethoxy-7-oxohept-2-enyl]-3-hydroxy-5-phosphanyloxycyclopentyl]-4-fluorooctan-3-yl]oxy-dimethylsilanylium
CID 145817544
[(E)-1-[(2R,3S,5R)-3-ethoxy-5-hydroxy-2-methylcyclopentyl]-4-fluorooct-6-en-3-yl]oxy-dimethylsilanylium
CID 163897108
[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-pent-2-enyl]cyclopentyl]methanol
CID 15343617
3-(4-fluoro-3-hydroxyoctyl)-2-[(E)-hept-2-enyl]-4-phosphanyloxycyclopentan-1-ol
CID 20672775

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3-hydroxy-5-phosphanyloxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium?
The IUPAC name of [4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3-hydroxy-5-phosphanyloxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium (CID 90814847) is [4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3-hydroxy-5-phosphanyloxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium.
What is the SMILES notation for [4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3-hydroxy-5-phosphanyloxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium?
The canonical SMILES for [4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3-hydroxy-5-phosphanyloxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium is CCCC/C=C\CC1C(O)CC(OP)[C@@H]1CCC(O[SiH2+](C)C)C(F)CCCC.
What is the InChIKey of [4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3-hydroxy-5-phosphanyloxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium?
The InChIKey is YZEXFGQAGISKLY-CYXGNIFXSA-N. The full InChI is InChI=1S/C22H45FO3PSi/c1-5-7-9-10-11-12-17-18(22(25-27)16-20(17)24)14-15-21(26-28(3)4)19(23)13-8-6-2/h10-11,17-22,24H,5-9,12-16,27-28H2,1-4H3/q+1/b11-10-/t17?,18-,19?,20?,21?,22?/m1/s1.
What are the key properties of [4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3-hydroxy-5-phosphanyloxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium?
[4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3-hydroxy-5-phosphanyloxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium has a molecular weight of 435.66 g/mol, XLogP of 5.70, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3-hydroxy-5-phosphanyloxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium is sourced from PubChem (CID 90814847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).