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

C24H33NOSi — CID 176896041

IUPACtert-butyl-[[(3R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H]1CC[C@@H]2CCCN21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NOSi/c1-24(2,3)27(22-12-6-4-7-13-22,23-14-8-5-9-15-23)26-19-21-17-16-20-11-10-18-25(20)21/h4-9,12-15,20-21H,10-11,16-19H2,1-3H3/t20-,21+/m0/s1
InChIKeyHOITZODUCKRXII-LEWJYISDSA-N
MW379.62 g/mol
LogP4.19
Rot. Bonds5

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

tert-butyl-[[(3R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy]-diphenylsilane (PubChem CID 176896041) has the molecular formula C24H33NOSi and a molecular weight of 379.62 g/mol. Its IUPAC name is tert-butyl-[[(3R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(3R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy]-diphenylsilane
PubChem CID176896041
Molecular FormulaC24H33NOSi
Molecular Weight379.62 g/mol
Exact Mass379.23
IUPAC Nametert-butyl-[[(3R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H]1CC[C@@H]2CCCN21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NOSi/c1-24(2,3)27(22-12-6-4-7-13-22,23-14-8-5-9-15-23)26-19-21-17-16-20-11-10-18-25(20)21/h4-9,12-15,20-21H,10-11,16-19H2,1-3H3/t20-,21+/m0/s1
InChIKeyHOITZODUCKRXII-LEWJYISDSA-N
XLogP4.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.62
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(3R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(3R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy]-diphenylsilane (CID 176896041) is tert-butyl-[[(3R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(3R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(3R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy]-diphenylsilane is CC(C)(C)[Si](OC[C@H]1CC[C@@H]2CCCN21)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[(3R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy]-diphenylsilane?
The InChIKey is HOITZODUCKRXII-LEWJYISDSA-N. The full InChI is InChI=1S/C24H33NOSi/c1-24(2,3)27(22-12-6-4-7-13-22,23-14-8-5-9-15-23)26-19-21-17-16-20-11-10-18-25(20)21/h4-9,12-15,20-21H,10-11,16-19H2,1-3H3/t20-,21+/m0/s1.
What are the key properties of tert-butyl-[[(3R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy]-diphenylsilane?
tert-butyl-[[(3R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy]-diphenylsilane has a molecular weight of 379.62 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(3R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 176896041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).