(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-ol

C24H33NO2Si — CID 166137182

IUPAC(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-ol
SMILESCC(C)(C)[Si](OC[C@]12CCCN1C[C@H](O)C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NO2Si/c1-23(2,3)28(21-11-6-4-7-12-21,22-13-8-5-9-14-22)27-19-24-15-10-16-25(24)18-20(26)17-24/h4-9,11-14,20,26H,10,15-19H2,1-3H3/t20-,24-/m1/s1
InChIKeyBFVCPFFOZSSLBW-HYBUGGRVSA-N
MW395.62 g/mol
LogP3.16
Rot. Bonds5

About (2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-ol

(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-ol (PubChem CID 166137182) has the molecular formula C24H33NO2Si and a molecular weight of 395.62 g/mol. Its IUPAC name is (2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-ol.

Molecular Properties

Compound Name(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-ol
PubChem CID166137182
Molecular FormulaC24H33NO2Si
Molecular Weight395.62 g/mol
Exact Mass395.23
IUPAC Name(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-ol
SMILESCC(C)(C)[Si](OC[C@]12CCCN1C[C@H](O)C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NO2Si/c1-23(2,3)28(21-11-6-4-7-12-21,22-13-8-5-9-14-22)27-19-24-15-10-16-25(24)18-20(26)17-24/h4-9,11-14,20,26H,10,15-19H2,1-3H3/t20-,24-/m1/s1
InChIKeyBFVCPFFOZSSLBW-HYBUGGRVSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-ol?
The IUPAC name of (2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-ol (CID 166137182) is (2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-ol.
What is the SMILES notation for (2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-ol?
The canonical SMILES for (2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-ol is CC(C)(C)[Si](OC[C@]12CCCN1C[C@H](O)C2)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-ol?
The InChIKey is BFVCPFFOZSSLBW-HYBUGGRVSA-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)27-19-24-15-10-16-25(24)18-20(26)17-24/h4-9,11-14,20,26H,10,15-19H2,1-3H3/t20-,24-/m1/s1.
What are the key properties of (2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-ol?
(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-ol 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 (2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-ol is sourced from PubChem (CID 166137182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).