trimethyl-[(2E)-3-methyl-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]penta-2,4-dienoxy]silane

C21H33NO2Si — CID 135075829

IUPACtrimethyl-[(2E)-3-methyl-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]penta-2,4-dienoxy]silane
SMILESC=C(/C(C)=C/CO[Si](C)(C)C)N1CCC[C@H]1COCc1ccccc1
InChIInChI=1S/C21H33NO2Si/c1-18(13-15-24-25(3,4)5)19(2)22-14-9-12-21(22)17-23-16-20-10-7-6-8-11-20/h6-8,10-11,13,21H,2,9,12,14-17H2,1,3-5H3/b18-13+/t21-/m0/s1
InChIKeyUMLLCYSYMCJDTD-DOIQENQNSA-N
MW359.59 g/mol
LogP4.98
Rot. Bonds9

About trimethyl-[(2E)-3-methyl-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]penta-2,4-dienoxy]silane

trimethyl-[(2E)-3-methyl-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]penta-2,4-dienoxy]silane (PubChem CID 135075829) has the molecular formula C21H33NO2Si and a molecular weight of 359.59 g/mol. Its IUPAC name is trimethyl-[(2E)-3-methyl-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]penta-2,4-dienoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(2E)-3-methyl-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]penta-2,4-dienoxy]silane
PubChem CID135075829
Molecular FormulaC21H33NO2Si
Molecular Weight359.59 g/mol
Exact Mass359.23
IUPAC Nametrimethyl-[(2E)-3-methyl-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]penta-2,4-dienoxy]silane
SMILESC=C(/C(C)=C/CO[Si](C)(C)C)N1CCC[C@H]1COCc1ccccc1
InChIInChI=1S/C21H33NO2Si/c1-18(13-15-24-25(3,4)5)19(2)22-14-9-12-21(22)17-23-16-20-10-7-6-8-11-20/h6-8,10-11,13,21H,2,9,12,14-17H2,1,3-5H3/b18-13+/t21-/m0/s1
InChIKeyUMLLCYSYMCJDTD-DOIQENQNSA-N
XLogP4.98
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.59
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Tert-butyl-[4-fluoro-1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]oxy-dimethylsilane
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(2S)-1-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]-2-(phenylmethoxymethyl)pyrrolidine
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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2E)-3-methyl-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]penta-2,4-dienoxy]silane?
The IUPAC name of trimethyl-[(2E)-3-methyl-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]penta-2,4-dienoxy]silane (CID 135075829) is trimethyl-[(2E)-3-methyl-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]penta-2,4-dienoxy]silane.
What is the SMILES notation for trimethyl-[(2E)-3-methyl-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]penta-2,4-dienoxy]silane?
The canonical SMILES for trimethyl-[(2E)-3-methyl-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]penta-2,4-dienoxy]silane is C=C(/C(C)=C/CO[Si](C)(C)C)N1CCC[C@H]1COCc1ccccc1.
What is the InChIKey of trimethyl-[(2E)-3-methyl-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]penta-2,4-dienoxy]silane?
The InChIKey is UMLLCYSYMCJDTD-DOIQENQNSA-N. The full InChI is InChI=1S/C21H33NO2Si/c1-18(13-15-24-25(3,4)5)19(2)22-14-9-12-21(22)17-23-16-20-10-7-6-8-11-20/h6-8,10-11,13,21H,2,9,12,14-17H2,1,3-5H3/b18-13+/t21-/m0/s1.
What are the key properties of trimethyl-[(2E)-3-methyl-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]penta-2,4-dienoxy]silane?
trimethyl-[(2E)-3-methyl-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]penta-2,4-dienoxy]silane has a molecular weight of 359.59 g/mol, XLogP of 4.98, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2E)-3-methyl-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]penta-2,4-dienoxy]silane is sourced from PubChem (CID 135075829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).