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

C22H44FO3Si+ — CID 91017297

IUPAC[4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3,5-dihydroxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium
SMILESCCCC/C=C\CC1C(O)CC(O)[C@@H]1CCC(O[SiH2+](C)C)C(F)CCCC
InChIInChI=1S/C22H44FO3Si/c1-5-7-9-10-11-12-17-18(21(25)16-20(17)24)14-15-22(26-27(3)4)19(23)13-8-6-2/h10-11,17-22,24-25H,5-9,12-16,27H2,1-4H3/q+1/b11-10-/t17?,18-,19?,20?,21?,22?/m1/s1
InChIKeyULAYKZDEHUGXJH-CYXGNIFXSA-N
MW403.68 g/mol
LogP4.89
Rot. Bonds14

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

[4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3,5-dihydroxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium (PubChem CID 91017297) has the molecular formula C22H44FO3Si+ and a molecular weight of 403.68 g/mol. Its IUPAC name is [4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3,5-dihydroxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium.

Molecular Properties

Compound Name[4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3,5-dihydroxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium
PubChem CID91017297
Molecular FormulaC22H44FO3Si+
Molecular Weight403.68 g/mol
Exact Mass403.30
IUPAC Name[4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3,5-dihydroxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium
SMILESCCCC/C=C\CC1C(O)CC(O)[C@@H]1CCC(O[SiH2+](C)C)C(F)CCCC
InChIInChI=1S/C22H44FO3Si/c1-5-7-9-10-11-12-17-18(21(25)16-20(17)24)14-15-22(26-27(3)4)19(23)13-8-6-2/h10-11,17-22,24-25H,5-9,12-16,27H2,1-4H3/q+1/b11-10-/t17?,18-,19?,20?,21?,22?/m1/s1
InChIKeyULAYKZDEHUGXJH-CYXGNIFXSA-N
XLogP4.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.68
LogP ≤ 54.89
H-Bond Donors ≤ 52
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'}

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Related Compounds

(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-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3-hydroxy-5-phosphanyloxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium
CID 90814847
[1-[(1R)-2-[(Z)-7-ethoxy-7-oxohept-2-enyl]-3,5-dihydroxycyclopentyl]-4-fluorooctan-3-yl]oxy-dimethylsilanylium
CID 145817521
[(E)-1-[(2R,3S,5R)-3-ethoxy-5-hydroxy-2-methylcyclopentyl]-4-fluorooct-6-en-3-yl]oxy-dimethylsilanylium
CID 163897108
(1S,2S,3aR,4R,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethyl-2,3,3a,5,6,8a-hexahydro-1H-azulen-4-ol
CID 11034272
[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-pent-2-enyl]cyclopentyl]methanol
CID 15343617
(1S,2R,3R,3aS,6R,7S,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-7-ethenyl-2-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol
CID 101362169
(3R,4R,5R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-(7-hydroxyheptyl)cyclopentane-1,3-diol
CID 134870373
[(1S,3R,3aR,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-7a-(hydroxymethyl)-2,3,4,7-tetrahydro-1H-inden-3a-yl]methanol
CID 154707123
3-(4-fluoro-3-hydroxyoctyl)-2-[(E)-hept-2-enyl]-4-phosphanyloxycyclopentan-1-ol
CID 20672775
[4-fluoro-1-[(1S)-2-[(Z)-hept-2-enyl]-3-hydroxy-5-methylcyclopentyl]octan-3-yl]oxy-dimethylsilanylium
CID 90908221

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3,5-dihydroxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium?
The IUPAC name of [4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3,5-dihydroxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium (CID 91017297) is [4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3,5-dihydroxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium.
What is the SMILES notation for [4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3,5-dihydroxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium?
The canonical SMILES for [4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3,5-dihydroxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium is CCCC/C=C\CC1C(O)CC(O)[C@@H]1CCC(O[SiH2+](C)C)C(F)CCCC.
What is the InChIKey of [4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3,5-dihydroxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium?
The InChIKey is ULAYKZDEHUGXJH-CYXGNIFXSA-N. The full InChI is InChI=1S/C22H44FO3Si/c1-5-7-9-10-11-12-17-18(21(25)16-20(17)24)14-15-22(26-27(3)4)19(23)13-8-6-2/h10-11,17-22,24-25H,5-9,12-16,27H2,1-4H3/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]-3,5-dihydroxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium?
[4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3,5-dihydroxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium has a molecular weight of 403.68 g/mol, XLogP of 4.89, 14 rotatable bonds, 2 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]-3,5-dihydroxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium is sourced from PubChem (CID 91017297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).