tert-butyl-[[(2S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-diphenylsilane

C23H31NOSi — CID 169225382

IUPACtert-butyl-[[(2S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-diphenylsilane
SMILESCC(C)(C)[Si](O[C@H]1C[C@H]2CCCN2C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NOSi/c1-23(2,3)26(21-12-6-4-7-13-21,22-14-8-5-9-15-22)25-20-17-19-11-10-16-24(19)18-20/h4-9,12-15,19-20H,10-11,16-18H2,1-3H3/t19-,20+/m1/s1
InChIKeyKBLVSYQIGWKRAB-UXHICEINSA-N
MW365.59 g/mol
LogP3.80
Rot. Bonds4

About tert-butyl-[[(2S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-diphenylsilane

tert-butyl-[[(2S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-diphenylsilane (PubChem CID 169225382) has the molecular formula C23H31NOSi and a molecular weight of 365.59 g/mol. Its IUPAC name is tert-butyl-[[(2S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-diphenylsilane
PubChem CID169225382
Molecular FormulaC23H31NOSi
Molecular Weight365.59 g/mol
Exact Mass365.22
IUPAC Nametert-butyl-[[(2S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-diphenylsilane
SMILESCC(C)(C)[Si](O[C@H]1C[C@H]2CCCN2C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NOSi/c1-23(2,3)26(21-12-6-4-7-13-21,22-14-8-5-9-15-22)25-20-17-19-11-10-16-24(19)18-20/h4-9,12-15,19-20H,10-11,16-18H2,1-3H3/t19-,20+/m1/s1
InChIKeyKBLVSYQIGWKRAB-UXHICEINSA-N
XLogP3.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.59
LogP ≤ 53.80
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,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-diphenylsilane (CID 169225382) is tert-butyl-[[(2S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-diphenylsilane is CC(C)(C)[Si](O[C@H]1C[C@H]2CCCN2C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[(2S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-diphenylsilane?
The InChIKey is KBLVSYQIGWKRAB-UXHICEINSA-N. The full InChI is InChI=1S/C23H31NOSi/c1-23(2,3)26(21-12-6-4-7-13-21,22-14-8-5-9-15-22)25-20-17-19-11-10-16-24(19)18-20/h4-9,12-15,19-20H,10-11,16-18H2,1-3H3/t19-,20+/m1/s1.
What are the key properties of tert-butyl-[[(2S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-diphenylsilane?
tert-butyl-[[(2S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-diphenylsilane has a molecular weight of 365.59 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-diphenylsilane is sourced from PubChem (CID 169225382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).