(3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol

C28H35NO2Si — CID 14821729

IUPAC(3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@H](O)CN1Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35NO2Si/c1-28(2,3)32(26-15-9-5-10-16-26,27-17-11-6-12-18-27)31-22-24-19-25(30)21-29(24)20-23-13-7-4-8-14-23/h4-18,24-25,30H,19-22H2,1-3H3/t24-,25-/m0/s1
InChIKeyCPJNVGNWWBPBLF-DQEYMECFSA-N
MW445.68 g/mol
LogP4.20
Rot. Bonds7

About (3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol

(3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol (PubChem CID 14821729) has the molecular formula C28H35NO2Si and a molecular weight of 445.68 g/mol. Its IUPAC name is (3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol
PubChem CID14821729
Molecular FormulaC28H35NO2Si
Molecular Weight445.68 g/mol
Exact Mass445.24
IUPAC Name(3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@H](O)CN1Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35NO2Si/c1-28(2,3)32(26-15-9-5-10-16-26,27-17-11-6-12-18-27)31-22-24-19-25(30)21-29(24)20-23-13-7-4-8-14-23/h4-18,24-25,30H,19-22H2,1-3H3/t24-,25-/m0/s1
InChIKeyCPJNVGNWWBPBLF-DQEYMECFSA-N
XLogP4.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.68
LogP ≤ 54.20
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 (3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol?
The IUPAC name of (3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol (CID 14821729) is (3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol is CC(C)(C)[Si](OC[C@@H]1C[C@H](O)CN1Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol?
The InChIKey is CPJNVGNWWBPBLF-DQEYMECFSA-N. The full InChI is InChI=1S/C28H35NO2Si/c1-28(2,3)32(26-15-9-5-10-16-26,27-17-11-6-12-18-27)31-22-24-19-25(30)21-29(24)20-23-13-7-4-8-14-23/h4-18,24-25,30H,19-22H2,1-3H3/t24-,25-/m0/s1.
What are the key properties of (3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol?
(3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol has a molecular weight of 445.68 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol is sourced from PubChem (CID 14821729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).