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

C27H39NO3Si — CID 166137180

IUPAC3-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propan-1-ol
SMILESCC(C)(C)[Si](OC[C@]12CCCN1C[C@H](OCCCO)C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H39NO3Si/c1-26(2,3)32(24-12-6-4-7-13-24,25-14-8-5-9-15-25)31-22-27-16-10-17-28(27)21-23(20-27)30-19-11-18-29/h4-9,12-15,23,29H,10-11,16-22H2,1-3H3/t23-,27-/m1/s1
InChIKeyJKFKBPWUPVRPEL-YIXXDRMTSA-N
MW453.70 g/mol
LogP3.57
Rot. Bonds9

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

3-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propan-1-ol (PubChem CID 166137180) has the molecular formula C27H39NO3Si and a molecular weight of 453.70 g/mol. Its IUPAC name is 3-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propan-1-ol.

Molecular Properties

Compound Name3-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propan-1-ol
PubChem CID166137180
Molecular FormulaC27H39NO3Si
Molecular Weight453.70 g/mol
Exact Mass453.27
IUPAC Name3-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propan-1-ol
SMILESCC(C)(C)[Si](OC[C@]12CCCN1C[C@H](OCCCO)C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H39NO3Si/c1-26(2,3)32(24-12-6-4-7-13-24,25-14-8-5-9-15-25)31-22-27-16-10-17-28(27)21-23(20-27)30-19-11-18-29/h4-9,12-15,23,29H,10-11,16-22H2,1-3H3/t23-,27-/m1/s1
InChIKeyJKFKBPWUPVRPEL-YIXXDRMTSA-N
XLogP3.57
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.70
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propan-1-ol 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 3-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propan-1-ol?
The IUPAC name of 3-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propan-1-ol (CID 166137180) is 3-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propan-1-ol.
What is the SMILES notation for 3-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propan-1-ol?
The canonical SMILES for 3-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propan-1-ol is CC(C)(C)[Si](OC[C@]12CCCN1C[C@H](OCCCO)C2)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propan-1-ol?
The InChIKey is JKFKBPWUPVRPEL-YIXXDRMTSA-N. The full InChI is InChI=1S/C27H39NO3Si/c1-26(2,3)32(24-12-6-4-7-13-24,25-14-8-5-9-15-25)31-22-27-16-10-17-28(27)21-23(20-27)30-19-11-18-29/h4-9,12-15,23,29H,10-11,16-22H2,1-3H3/t23-,27-/m1/s1.
What are the key properties of 3-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propan-1-ol?
3-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propan-1-ol has a molecular weight of 453.70 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propan-1-ol is sourced from PubChem (CID 166137180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).