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

C26H37NO3Si — CID 166137100

IUPAC2-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]ethanol
SMILESCC(C)(C)[Si](OC[C@]12CCCN1C[C@H](OCCO)C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H37NO3Si/c1-25(2,3)31(23-11-6-4-7-12-23,24-13-8-5-9-14-24)30-21-26-15-10-16-27(26)20-22(19-26)29-18-17-28/h4-9,11-14,22,28H,10,15-21H2,1-3H3/t22-,26-/m1/s1
InChIKeyHYJYZOFBLATWDD-ATIYNZHBSA-N
MW439.67 g/mol
LogP3.18
Rot. Bonds8

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

2-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]ethanol (PubChem CID 166137100) has the molecular formula C26H37NO3Si and a molecular weight of 439.67 g/mol. Its IUPAC name is 2-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]ethanol
PubChem CID166137100
Molecular FormulaC26H37NO3Si
Molecular Weight439.67 g/mol
Exact Mass439.25
IUPAC Name2-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]ethanol
SMILESCC(C)(C)[Si](OC[C@]12CCCN1C[C@H](OCCO)C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H37NO3Si/c1-25(2,3)31(23-11-6-4-7-12-23,24-13-8-5-9-14-24)30-21-26-15-10-16-27(26)20-22(19-26)29-18-17-28/h4-9,11-14,22,28H,10,15-21H2,1-3H3/t22-,26-/m1/s1
InChIKeyHYJYZOFBLATWDD-ATIYNZHBSA-N
XLogP3.18
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.67
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]ethanol?
The IUPAC name of 2-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]ethanol (CID 166137100) is 2-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]ethanol.
What is the SMILES notation for 2-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]ethanol?
The canonical SMILES for 2-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]ethanol is CC(C)(C)[Si](OC[C@]12CCCN1C[C@H](OCCO)C2)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]ethanol?
The InChIKey is HYJYZOFBLATWDD-ATIYNZHBSA-N. The full InChI is InChI=1S/C26H37NO3Si/c1-25(2,3)31(23-11-6-4-7-12-23,24-13-8-5-9-14-24)30-21-26-15-10-16-27(26)20-22(19-26)29-18-17-28/h4-9,11-14,22,28H,10,15-21H2,1-3H3/t22-,26-/m1/s1.
What are the key properties of 2-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]ethanol?
2-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]ethanol has a molecular weight of 439.67 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]ethanol is sourced from PubChem (CID 166137100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).