[[(2S)-1-(3,3-dimethoxyprop-2-enylidene)pyrrolidin-1-ium-2-yl]-diphenylmethoxy]-trimethylsilane

C25H34NO3Si+ — CID 134843770

IUPAC[[(2S)-1-(3,3-dimethoxyprop-2-enylidene)pyrrolidin-1-ium-2-yl]-diphenylmethoxy]-trimethylsilane
SMILESCOC(=C/C=[N+]1\CCC[C@H]1C(O[Si](C)(C)C)(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C25H34NO3Si/c1-27-24(28-2)18-20-26-19-12-17-23(26)25(29-30(3,4)5,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,18,20,23H,12,17,19H2,1-5H3/q+1/b26-20+/t23-/m0/s1
InChIKeyJLUOAVKCUIBYPI-XCQFTPQJSA-N
MW424.64 g/mol
LogP5.16
Rot. Bonds8

About [[(2S)-1-(3,3-dimethoxyprop-2-enylidene)pyrrolidin-1-ium-2-yl]-diphenylmethoxy]-trimethylsilane

[[(2S)-1-(3,3-dimethoxyprop-2-enylidene)pyrrolidin-1-ium-2-yl]-diphenylmethoxy]-trimethylsilane (PubChem CID 134843770) has the molecular formula C25H34NO3Si+ and a molecular weight of 424.64 g/mol. Its IUPAC name is [[(2S)-1-(3,3-dimethoxyprop-2-enylidene)pyrrolidin-1-ium-2-yl]-diphenylmethoxy]-trimethylsilane.

Molecular Properties

Compound Name[[(2S)-1-(3,3-dimethoxyprop-2-enylidene)pyrrolidin-1-ium-2-yl]-diphenylmethoxy]-trimethylsilane
PubChem CID134843770
Molecular FormulaC25H34NO3Si+
Molecular Weight424.64 g/mol
Exact Mass424.23
IUPAC Name[[(2S)-1-(3,3-dimethoxyprop-2-enylidene)pyrrolidin-1-ium-2-yl]-diphenylmethoxy]-trimethylsilane
SMILESCOC(=C/C=[N+]1\CCC[C@H]1C(O[Si](C)(C)C)(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C25H34NO3Si/c1-27-24(28-2)18-20-26-19-12-17-23(26)25(29-30(3,4)5,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,18,20,23H,12,17,19H2,1-5H3/q+1/b26-20+/t23-/m0/s1
InChIKeyJLUOAVKCUIBYPI-XCQFTPQJSA-N
XLogP5.16
TPSA30.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.64
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[diphenyl-[1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane
CID 53310428
[diphenyl-[(2S)-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane
CID 102099897
[diphenyl-[(2S)-1-prop-2-enylidenepyrrolidin-1-ium-2-yl]methoxy]-trimethylsilane
CID 134942214
tert-butyl-[diphenyl-[(2S)-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-dimethylsilane
CID 154707791
(E,Z,2R)-4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4-diphenylbut-3-en-1-imine
CID 11827103
trimethyl-[[(2R)-1-methylpyrrolidin-2-yl]-diphenylmethoxy]silane
CID 164583010
(E,E,2R)-4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4-diphenylbut-3-en-1-imine
CID 10962034
[Diphenyl-(1-propylidenepyrrolidin-1-ium-2-yl)methoxy]-trimethylsilane
CID 53310429
1-[2-[Diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-ium-1-ylidene]-2-methylpentan-3-ol
CID 53310570
[diphenyl-[1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-methyl-diphenylsilane
CID 101482559
[diphenyl-[(2S)-1-[(E)-3-phenylprop-2-enylidene]pyrrolidin-1-ium-2-yl]methoxy]-methyl-diphenylsilane
CID 102026756

Frequently Asked Questions

What is the IUPAC name of [[(2S)-1-(3,3-dimethoxyprop-2-enylidene)pyrrolidin-1-ium-2-yl]-diphenylmethoxy]-trimethylsilane?
The IUPAC name of [[(2S)-1-(3,3-dimethoxyprop-2-enylidene)pyrrolidin-1-ium-2-yl]-diphenylmethoxy]-trimethylsilane (CID 134843770) is [[(2S)-1-(3,3-dimethoxyprop-2-enylidene)pyrrolidin-1-ium-2-yl]-diphenylmethoxy]-trimethylsilane.
What is the SMILES notation for [[(2S)-1-(3,3-dimethoxyprop-2-enylidene)pyrrolidin-1-ium-2-yl]-diphenylmethoxy]-trimethylsilane?
The canonical SMILES for [[(2S)-1-(3,3-dimethoxyprop-2-enylidene)pyrrolidin-1-ium-2-yl]-diphenylmethoxy]-trimethylsilane is COC(=C/C=[N+]1\CCC[C@H]1C(O[Si](C)(C)C)(c1ccccc1)c1ccccc1)OC.
What is the InChIKey of [[(2S)-1-(3,3-dimethoxyprop-2-enylidene)pyrrolidin-1-ium-2-yl]-diphenylmethoxy]-trimethylsilane?
The InChIKey is JLUOAVKCUIBYPI-XCQFTPQJSA-N. The full InChI is InChI=1S/C25H34NO3Si/c1-27-24(28-2)18-20-26-19-12-17-23(26)25(29-30(3,4)5,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,18,20,23H,12,17,19H2,1-5H3/q+1/b26-20+/t23-/m0/s1.
What are the key properties of [[(2S)-1-(3,3-dimethoxyprop-2-enylidene)pyrrolidin-1-ium-2-yl]-diphenylmethoxy]-trimethylsilane?
[[(2S)-1-(3,3-dimethoxyprop-2-enylidene)pyrrolidin-1-ium-2-yl]-diphenylmethoxy]-trimethylsilane has a molecular weight of 424.64 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2S)-1-(3,3-dimethoxyprop-2-enylidene)pyrrolidin-1-ium-2-yl]-diphenylmethoxy]-trimethylsilane is sourced from PubChem (CID 134843770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).