[(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol

C21H29NO2Si — CID 141285778

IUPAC[(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol
SMILESCC(C)(C)[Si](O[C@@H]1CN[C@H](CO)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO2Si/c1-21(2,3)25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-18-14-17(16-23)22-15-18/h4-13,17-18,22-23H,14-16H2,1-3H3/t17-,18-/m0/s1
InChIKeyCESQQCONQWVPKI-ROUUACIJSA-N
MW355.55 g/mol
LogP2.29
Rot. Bonds5

About [(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol

[(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol (PubChem CID 141285778) has the molecular formula C21H29NO2Si and a molecular weight of 355.55 g/mol. Its IUPAC name is [(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol
PubChem CID141285778
Molecular FormulaC21H29NO2Si
Molecular Weight355.55 g/mol
Exact Mass355.20
IUPAC Name[(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol
SMILESCC(C)(C)[Si](O[C@@H]1CN[C@H](CO)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO2Si/c1-21(2,3)25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-18-14-17(16-23)22-15-18/h4-13,17-18,22-23H,14-16H2,1-3H3/t17-,18-/m0/s1
InChIKeyCESQQCONQWVPKI-ROUUACIJSA-N
XLogP2.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 52.29
H-Bond Donors ≤ 52
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 [(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol (CID 141285778) is [(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol is CC(C)(C)[Si](O[C@@H]1CN[C@H](CO)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol?
The InChIKey is CESQQCONQWVPKI-ROUUACIJSA-N. The full InChI is InChI=1S/C21H29NO2Si/c1-21(2,3)25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-18-14-17(16-23)22-15-18/h4-13,17-18,22-23H,14-16H2,1-3H3/t17-,18-/m0/s1.
What are the key properties of [(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol?
[(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol has a molecular weight of 355.55 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol is sourced from PubChem (CID 141285778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).