tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate

C18H35NO5Si — CID 66993932

IUPACtert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)CC1C(O[Si](C)(C)C(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H35NO5Si/c1-17(2,3)23-16(21)19-11-10-14(13(19)12-15(20)22-7)24-25(8,9)18(4,5)6/h13-14H,10-12H2,1-9H3
InChIKeyNVFDCOBXDDHOOI-UHFFFAOYSA-N
MW373.57 g/mol
LogP3.95
Rot. Bonds4

About tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate

tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate (PubChem CID 66993932) has the molecular formula C18H35NO5Si and a molecular weight of 373.57 g/mol. Its IUPAC name is tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
PubChem CID66993932
Molecular FormulaC18H35NO5Si
Molecular Weight373.57 g/mol
Exact Mass373.23
IUPAC Nametert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)CC1C(O[Si](C)(C)C(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H35NO5Si/c1-17(2,3)23-16(21)19-11-10-14(13(19)12-15(20)22-7)24-25(8,9)18(4,5)6/h13-14H,10-12H2,1-9H3
InChIKeyNVFDCOBXDDHOOI-UHFFFAOYSA-N
XLogP3.95
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 53.95
H-Bond Donors ≤ 50
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-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate (CID 66993932) is tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate is COC(=O)CC1C(O[Si](C)(C)C(C)(C)C)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate?
The InChIKey is NVFDCOBXDDHOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO5Si/c1-17(2,3)23-16(21)19-11-10-14(13(19)12-15(20)22-7)24-25(8,9)18(4,5)6/h13-14H,10-12H2,1-9H3.
What are the key properties of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate?
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate has a molecular weight of 373.57 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 66993932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).