(5S)-1-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylpyrrolidin-2-one

C26H37NO2Si — CID 175969201

IUPAC(5S)-1-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylpyrrolidin-2-one
SMILESCC1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(C)(C)C)C1=O
InChIInChI=1S/C26H37NO2Si/c1-20-18-21(27(24(20)28)25(2,3)4)19-29-30(26(5,6)7,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,20-21H,18-19H2,1-7H3/t20?,21-/m0/s1
InChIKeyGJMCENZJWLOHQW-LBAQZLPGSA-N
MW423.67 g/mol
LogP4.60
Rot. Bonds5

About (5S)-1-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylpyrrolidin-2-one

(5S)-1-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylpyrrolidin-2-one (PubChem CID 175969201) has the molecular formula C26H37NO2Si and a molecular weight of 423.67 g/mol. Its IUPAC name is (5S)-1-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylpyrrolidin-2-one
PubChem CID175969201
Molecular FormulaC26H37NO2Si
Molecular Weight423.67 g/mol
Exact Mass423.26
IUPAC Name(5S)-1-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylpyrrolidin-2-one
SMILESCC1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(C)(C)C)C1=O
InChIInChI=1S/C26H37NO2Si/c1-20-18-21(27(24(20)28)25(2,3)4)19-29-30(26(5,6)7,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,20-21H,18-19H2,1-7H3/t20?,21-/m0/s1
InChIKeyGJMCENZJWLOHQW-LBAQZLPGSA-N
XLogP4.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.67
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (5S)-1-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylpyrrolidin-2-one?
The IUPAC name of (5S)-1-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylpyrrolidin-2-one (CID 175969201) is (5S)-1-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylpyrrolidin-2-one.
What is the SMILES notation for (5S)-1-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylpyrrolidin-2-one?
The canonical SMILES for (5S)-1-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylpyrrolidin-2-one is CC1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(C)(C)C)C1=O.
What is the InChIKey of (5S)-1-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylpyrrolidin-2-one?
The InChIKey is GJMCENZJWLOHQW-LBAQZLPGSA-N. The full InChI is InChI=1S/C26H37NO2Si/c1-20-18-21(27(24(20)28)25(2,3)4)19-29-30(26(5,6)7,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,20-21H,18-19H2,1-7H3/t20?,21-/m0/s1.
What are the key properties of (5S)-1-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylpyrrolidin-2-one?
(5S)-1-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylpyrrolidin-2-one has a molecular weight of 423.67 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylpyrrolidin-2-one is sourced from PubChem (CID 175969201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).