[(2S,8R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol

C24H33NO2Si — CID 164535102

IUPAC[(2S,8R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
SMILESCC(C)(C)[Si](O[C@@H]1CN2CCC[C@]2(CO)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NO2Si/c1-23(2,3)28(21-11-6-4-7-12-21,22-13-8-5-9-14-22)27-20-17-24(19-26)15-10-16-25(24)18-20/h4-9,11-14,20,26H,10,15-19H2,1-3H3/t20-,24+/m0/s1
InChIKeyWMKMGSUKLZTBPU-GBXCKJPGSA-N
MW395.62 g/mol
LogP3.16
Rot. Bonds5

About [(2S,8R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol

[(2S,8R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol (PubChem CID 164535102) has the molecular formula C24H33NO2Si and a molecular weight of 395.62 g/mol. Its IUPAC name is [(2S,8R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol.

Molecular Properties

Compound Name[(2S,8R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
PubChem CID164535102
Molecular FormulaC24H33NO2Si
Molecular Weight395.62 g/mol
Exact Mass395.23
IUPAC Name[(2S,8R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
SMILESCC(C)(C)[Si](O[C@@H]1CN2CCC[C@]2(CO)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NO2Si/c1-23(2,3)28(21-11-6-4-7-12-21,22-13-8-5-9-14-22)27-20-17-24(19-26)15-10-16-25(24)18-20/h4-9,11-14,20,26H,10,15-19H2,1-3H3/t20-,24+/m0/s1
InChIKeyWMKMGSUKLZTBPU-GBXCKJPGSA-N
XLogP3.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.62
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2S,8R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,8R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The IUPAC name of [(2S,8R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol (CID 164535102) is [(2S,8R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol.
What is the SMILES notation for [(2S,8R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The canonical SMILES for [(2S,8R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol is CC(C)(C)[Si](O[C@@H]1CN2CCC[C@]2(CO)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S,8R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The InChIKey is WMKMGSUKLZTBPU-GBXCKJPGSA-N. The full InChI is InChI=1S/C24H33NO2Si/c1-23(2,3)28(21-11-6-4-7-12-21,22-13-8-5-9-14-22)27-20-17-24(19-26)15-10-16-25(24)18-20/h4-9,11-14,20,26H,10,15-19H2,1-3H3/t20-,24+/m0/s1.
What are the key properties of [(2S,8R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
[(2S,8R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol has a molecular weight of 395.62 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,8R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol is sourced from PubChem (CID 164535102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).