tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-oxopyrrolidine-1-carboxylate

C18H35NO5Si — CID 164561815

IUPACtert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(O)CCO[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C18H35NO5Si/c1-17(2,3)24-16(22)19-11-9-13(15(19)21)14(20)10-12-23-25(7,8)18(4,5)6/h13-14,20H,9-12H2,1-8H3
InChIKeyUXHZTBPCKRXPHK-UHFFFAOYSA-N
MW373.57 g/mol
LogP3.54
Rot. Bonds5

About tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-oxopyrrolidine-1-carboxylate

tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-oxopyrrolidine-1-carboxylate (PubChem CID 164561815) has the molecular formula C18H35NO5Si and a molecular weight of 373.57 g/mol. Its IUPAC name is tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-oxopyrrolidine-1-carboxylate
PubChem CID164561815
Molecular FormulaC18H35NO5Si
Molecular Weight373.57 g/mol
Exact Mass373.23
IUPAC Nametert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(O)CCO[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C18H35NO5Si/c1-17(2,3)24-16(22)19-11-9-13(15(19)21)14(20)10-12-23-25(7,8)18(4,5)6/h13-14,20H,9-12H2,1-8H3
InChIKeyUXHZTBPCKRXPHK-UHFFFAOYSA-N
XLogP3.54
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-oxopyrrolidine-1-carboxylate (CID 164561815) is tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(O)CCO[Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-oxopyrrolidine-1-carboxylate?
The InChIKey is UXHZTBPCKRXPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO5Si/c1-17(2,3)24-16(22)19-11-9-13(15(19)21)14(20)10-12-23-25(7,8)18(4,5)6/h13-14,20H,9-12H2,1-8H3.
What are the key properties of tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-oxopyrrolidine-1-carboxylate?
tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-oxopyrrolidine-1-carboxylate has a molecular weight of 373.57 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 164561815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).