tert-butyl-dimethyl-[[(2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methoxy]silane

C20H33NOSi — CID 12069185

IUPACtert-butyl-dimethyl-[[(2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1C/C=C/c1ccccc1
InChIInChI=1S/C20H33NOSi/c1-20(2,3)23(4,5)22-17-19-14-10-16-21(19)15-9-13-18-11-7-6-8-12-18/h6-9,11-13,19H,10,14-17H2,1-5H3/b13-9+/t19-/m0/s1
InChIKeyJTZYBHNSNNGLQB-CWIMXHLESA-N
MW331.58 g/mol
LogP5.19
Rot. Bonds6

About tert-butyl-dimethyl-[[(2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methoxy]silane (PubChem CID 12069185) has the molecular formula C20H33NOSi and a molecular weight of 331.58 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methoxy]silane
PubChem CID12069185
Molecular FormulaC20H33NOSi
Molecular Weight331.58 g/mol
Exact Mass331.23
IUPAC Nametert-butyl-dimethyl-[[(2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1C/C=C/c1ccccc1
InChIInChI=1S/C20H33NOSi/c1-20(2,3)23(4,5)22-17-19-14-10-16-21(19)15-9-13-18-11-7-6-8-12-18/h6-9,11-13,19H,10,14-17H2,1-5H3/b13-9+/t19-/m0/s1
InChIKeyJTZYBHNSNNGLQB-CWIMXHLESA-N
XLogP5.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.58
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-1-benzyl-2-hydroxymethyl-4-(t-butyldimethylsilyloxy)pyrrolidine
CID 11099295
[(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 135010273
[(2S)-1-benzylpyrrolidin-2-yl]methyl hypofluorite
CID 144508134
tert-butyl-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane
CID 171568011
tert-butyl-[[(6E,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane
CID 171568174
tert-butyl-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane
CID 171812047
tert-butyl-[[(6E)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane
CID 171812054
tert-butyl-[[(2R,8S)-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane
CID 172287967
tert-butyl-[[(2R,8R)-2-fluoro-6-methyl-1,2,3,5-tetrahydropyrrolizin-8-yl]methoxy]-diphenylsilane
CID 172288495
tert-butyl-[[6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane
CID 176300241
(3S,5S)-1-benzyl-3-(tert-butyldimethylsilyloxy)-5-hydroxymethylpyrrolidine
CID 119081430
[2-(Methoxymethyl)pyrrolidin-1-yl]methyl-dimethyl-(1-phenylethyl)silane
CID 5232942

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methoxy]silane (CID 12069185) is tert-butyl-dimethyl-[[(2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methoxy]silane is CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1C/C=C/c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[[(2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methoxy]silane?
The InChIKey is JTZYBHNSNNGLQB-CWIMXHLESA-N. The full InChI is InChI=1S/C20H33NOSi/c1-20(2,3)23(4,5)22-17-19-14-10-16-21(19)15-9-13-18-11-7-6-8-12-18/h6-9,11-13,19H,10,14-17H2,1-5H3/b13-9+/t19-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methoxy]silane has a molecular weight of 331.58 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methoxy]silane is sourced from PubChem (CID 12069185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).