[(E)-1-[(2R,3S,5R)-3-ethoxy-5-hydroxy-2-methylcyclopentyl]-4-fluorooct-6-en-3-yl]oxy-dimethylsilanylium

C18H36FO3Si+ — CID 163897108

IUPAC[(E)-1-[(2R,3S,5R)-3-ethoxy-5-hydroxy-2-methylcyclopentyl]-4-fluorooct-6-en-3-yl]oxy-dimethylsilanylium
SMILESC/C=C/CC(F)C(CCC1[C@H](O)C[C@H](OCC)[C@@H]1C)O[SiH2+](C)C
InChIInChI=1S/C18H36FO3Si/c1-6-8-9-15(19)17(22-23(4)5)11-10-14-13(3)18(21-7-2)12-16(14)20/h6,8,13-18,20H,7,9-12,23H2,1-5H3/q+1/b8-6+/t13-,14?,15?,16-,17?,18+/m1/s1
InChIKeyQUZMPRLHSBUZDI-IBMKDWNXSA-N
MW347.57 g/mol
LogP3.59
Rot. Bonds10

About [(E)-1-[(2R,3S,5R)-3-ethoxy-5-hydroxy-2-methylcyclopentyl]-4-fluorooct-6-en-3-yl]oxy-dimethylsilanylium

[(E)-1-[(2R,3S,5R)-3-ethoxy-5-hydroxy-2-methylcyclopentyl]-4-fluorooct-6-en-3-yl]oxy-dimethylsilanylium (PubChem CID 163897108) has the molecular formula C18H36FO3Si+ and a molecular weight of 347.57 g/mol. Its IUPAC name is [(E)-1-[(2R,3S,5R)-3-ethoxy-5-hydroxy-2-methylcyclopentyl]-4-fluorooct-6-en-3-yl]oxy-dimethylsilanylium.

Molecular Properties

Compound Name[(E)-1-[(2R,3S,5R)-3-ethoxy-5-hydroxy-2-methylcyclopentyl]-4-fluorooct-6-en-3-yl]oxy-dimethylsilanylium
PubChem CID163897108
Molecular FormulaC18H36FO3Si+
Molecular Weight347.57 g/mol
Exact Mass347.24
IUPAC Name[(E)-1-[(2R,3S,5R)-3-ethoxy-5-hydroxy-2-methylcyclopentyl]-4-fluorooct-6-en-3-yl]oxy-dimethylsilanylium
SMILESC/C=C/CC(F)C(CCC1[C@H](O)C[C@H](OCC)[C@@H]1C)O[SiH2+](C)C
InChIInChI=1S/C18H36FO3Si/c1-6-8-9-15(19)17(22-23(4)5)11-10-14-13(3)18(21-7-2)12-16(14)20/h6,8,13-18,20H,7,9-12,23H2,1-5H3/q+1/b8-6+/t13-,14?,15?,16-,17?,18+/m1/s1
InChIKeyQUZMPRLHSBUZDI-IBMKDWNXSA-N
XLogP3.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.57
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(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
[(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
[4-fluoro-1-[(1S)-2-[(Z)-hept-2-enyl]-3-hydroxy-5-methylcyclopentyl]octan-3-yl]oxy-dimethylsilanylium
CID 90908221
[4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3,5-dihydroxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium
CID 91017297
(1R,3S,4R,5R)-4-[(Z)-7-hydroxyhept-2-enyl]-5-[(E)-3-hydroxyoct-6-enyl]cyclopentane-1,3-diol
CID 9949847
(1R,3S,4R,5R)-4-[(Z)-hept-2-enyl]-5-[(3S)-3-hydroxybutyl]cyclopentane-1,3-diol
CID 58918226
(1R,3S,5R)-4-[(Z)-hept-2-enyl]-5-[(3S)-3-hydroxybutyl]cyclopentane-1,3-diol
CID 58918239
CID 59963392
CID 59963392
CID 59963411
CID 59963411

Frequently Asked Questions

What is the IUPAC name of [(E)-1-[(2R,3S,5R)-3-ethoxy-5-hydroxy-2-methylcyclopentyl]-4-fluorooct-6-en-3-yl]oxy-dimethylsilanylium?
The IUPAC name of [(E)-1-[(2R,3S,5R)-3-ethoxy-5-hydroxy-2-methylcyclopentyl]-4-fluorooct-6-en-3-yl]oxy-dimethylsilanylium (CID 163897108) is [(E)-1-[(2R,3S,5R)-3-ethoxy-5-hydroxy-2-methylcyclopentyl]-4-fluorooct-6-en-3-yl]oxy-dimethylsilanylium.
What is the SMILES notation for [(E)-1-[(2R,3S,5R)-3-ethoxy-5-hydroxy-2-methylcyclopentyl]-4-fluorooct-6-en-3-yl]oxy-dimethylsilanylium?
The canonical SMILES for [(E)-1-[(2R,3S,5R)-3-ethoxy-5-hydroxy-2-methylcyclopentyl]-4-fluorooct-6-en-3-yl]oxy-dimethylsilanylium is C/C=C/CC(F)C(CCC1[C@H](O)C[C@H](OCC)[C@@H]1C)O[SiH2+](C)C.
What is the InChIKey of [(E)-1-[(2R,3S,5R)-3-ethoxy-5-hydroxy-2-methylcyclopentyl]-4-fluorooct-6-en-3-yl]oxy-dimethylsilanylium?
The InChIKey is QUZMPRLHSBUZDI-IBMKDWNXSA-N. The full InChI is InChI=1S/C18H36FO3Si/c1-6-8-9-15(19)17(22-23(4)5)11-10-14-13(3)18(21-7-2)12-16(14)20/h6,8,13-18,20H,7,9-12,23H2,1-5H3/q+1/b8-6+/t13-,14?,15?,16-,17?,18+/m1/s1.
What are the key properties of [(E)-1-[(2R,3S,5R)-3-ethoxy-5-hydroxy-2-methylcyclopentyl]-4-fluorooct-6-en-3-yl]oxy-dimethylsilanylium?
[(E)-1-[(2R,3S,5R)-3-ethoxy-5-hydroxy-2-methylcyclopentyl]-4-fluorooct-6-en-3-yl]oxy-dimethylsilanylium has a molecular weight of 347.57 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[(2R,3S,5R)-3-ethoxy-5-hydroxy-2-methylcyclopentyl]-4-fluorooct-6-en-3-yl]oxy-dimethylsilanylium is sourced from PubChem (CID 163897108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).