tert-butyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]-diphenylsilane

C26H37NOSi — CID 102136465

IUPACtert-butyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]-diphenylsilane
SMILESCC(C)/C=C/N1CCC[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H37NOSi/c1-22(2)18-20-27-19-12-13-23(27)21-28-29(26(3,4)5,24-14-8-6-9-15-24)25-16-10-7-11-17-25/h6-11,14-18,20,22-23H,12-13,19,21H2,1-5H3/b20-18+/t23-/m0/s1
InChIKeyYALRWXIXNOMPAM-TVNSMHFRSA-N
MW407.67 g/mol
LogP5.20
Rot. Bonds7

About tert-butyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]-diphenylsilane (PubChem CID 102136465) has the molecular formula C26H37NOSi and a molecular weight of 407.67 g/mol. Its IUPAC name is tert-butyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]-diphenylsilane
PubChem CID102136465
Molecular FormulaC26H37NOSi
Molecular Weight407.67 g/mol
Exact Mass407.26
IUPAC Nametert-butyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]-diphenylsilane
SMILESCC(C)/C=C/N1CCC[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H37NOSi/c1-22(2)18-20-27-19-12-13-23(27)21-28-29(26(3,4)5,24-14-8-6-9-15-24)25-16-10-7-11-17-25/h6-11,14-18,20,22-23H,12-13,19,21H2,1-5H3/b20-18+/t23-/m0/s1
InChIKeyYALRWXIXNOMPAM-TVNSMHFRSA-N
XLogP5.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.67
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]-diphenylsilane (CID 102136465) is tert-butyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]-diphenylsilane is CC(C)/C=C/N1CCC[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]-diphenylsilane?
The InChIKey is YALRWXIXNOMPAM-TVNSMHFRSA-N. The full InChI is InChI=1S/C26H37NOSi/c1-22(2)18-20-27-19-12-13-23(27)21-28-29(26(3,4)5,24-14-8-6-9-15-24)25-16-10-7-11-17-25/h6-11,14-18,20,22-23H,12-13,19,21H2,1-5H3/b20-18+/t23-/m0/s1.
What are the key properties of tert-butyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]-diphenylsilane has a molecular weight of 407.67 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 102136465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).