(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]pyrrolidin-2-one

C18H31NO2Si2 — CID 102184860

IUPAC(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1NC(=O)C[C@@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H31NO2Si2/c1-18(2,3)23(6,7)21-17-15(13-16(20)19-17)22(4,5)14-11-9-8-10-12-14/h8-12,15,17H,13H2,1-7H3,(H,19,20)/t15-,17+/m0/s1
InChIKeyCODLFHZNAKXAHG-DOTOQJQBSA-N
MW349.62 g/mol
LogP3.84
Rot. Bonds4

About (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]pyrrolidin-2-one

(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]pyrrolidin-2-one (PubChem CID 102184860) has the molecular formula C18H31NO2Si2 and a molecular weight of 349.62 g/mol. Its IUPAC name is (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]pyrrolidin-2-one
PubChem CID102184860
Molecular FormulaC18H31NO2Si2
Molecular Weight349.62 g/mol
Exact Mass349.19
IUPAC Name(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1NC(=O)C[C@@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H31NO2Si2/c1-18(2,3)23(6,7)21-17-15(13-16(20)19-17)22(4,5)14-11-9-8-10-12-14/h8-12,15,17H,13H2,1-7H3,(H,19,20)/t15-,17+/m0/s1
InChIKeyCODLFHZNAKXAHG-DOTOQJQBSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 53.84
H-Bond Donors ≤ 51
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 (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]pyrrolidin-2-one?
The IUPAC name of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]pyrrolidin-2-one (CID 102184860) is (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]pyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]pyrrolidin-2-one?
The canonical SMILES for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]pyrrolidin-2-one is CC(C)(C)[Si](C)(C)O[C@H]1NC(=O)C[C@@H]1[Si](C)(C)c1ccccc1.
What is the InChIKey of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]pyrrolidin-2-one?
The InChIKey is CODLFHZNAKXAHG-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H31NO2Si2/c1-18(2,3)23(6,7)21-17-15(13-16(20)19-17)22(4,5)14-11-9-8-10-12-14/h8-12,15,17H,13H2,1-7H3,(H,19,20)/t15-,17+/m0/s1.
What are the key properties of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]pyrrolidin-2-one?
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]pyrrolidin-2-one has a molecular weight of 349.62 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]pyrrolidin-2-one is sourced from PubChem (CID 102184860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).