tert-butyl 2-ethenyl-4-trimethylsilyloxypyrrolidine-1-carboxylate

C14H27NO3Si — CID 134965741

IUPACtert-butyl 2-ethenyl-4-trimethylsilyloxypyrrolidine-1-carboxylate
SMILESC=CC1CC(O[Si](C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO3Si/c1-8-11-9-12(18-19(5,6)7)10-15(11)13(16)17-14(2,3)4/h8,11-12H,1,9-10H2,2-7H3
InChIKeyYMTBXWSKLXRXCK-UHFFFAOYSA-N
MW285.46 g/mol
LogP3.40
Rot. Bonds3

About tert-butyl 2-ethenyl-4-trimethylsilyloxypyrrolidine-1-carboxylate

tert-butyl 2-ethenyl-4-trimethylsilyloxypyrrolidine-1-carboxylate (PubChem CID 134965741) has the molecular formula C14H27NO3Si and a molecular weight of 285.46 g/mol. Its IUPAC name is tert-butyl 2-ethenyl-4-trimethylsilyloxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethenyl-4-trimethylsilyloxypyrrolidine-1-carboxylate
PubChem CID134965741
Molecular FormulaC14H27NO3Si
Molecular Weight285.46 g/mol
Exact Mass285.18
IUPAC Nametert-butyl 2-ethenyl-4-trimethylsilyloxypyrrolidine-1-carboxylate
SMILESC=CC1CC(O[Si](C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO3Si/c1-8-11-9-12(18-19(5,6)7)10-15(11)13(16)17-14(2,3)4/h8,11-12H,1,9-10H2,2-7H3
InChIKeyYMTBXWSKLXRXCK-UHFFFAOYSA-N
XLogP3.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethenyl-4-trimethylsilyloxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-ethenyl-4-trimethylsilyloxypyrrolidine-1-carboxylate (CID 134965741) is tert-butyl 2-ethenyl-4-trimethylsilyloxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-ethenyl-4-trimethylsilyloxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-ethenyl-4-trimethylsilyloxypyrrolidine-1-carboxylate is C=CC1CC(O[Si](C)(C)C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-ethenyl-4-trimethylsilyloxypyrrolidine-1-carboxylate?
The InChIKey is YMTBXWSKLXRXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3Si/c1-8-11-9-12(18-19(5,6)7)10-15(11)13(16)17-14(2,3)4/h8,11-12H,1,9-10H2,2-7H3.
What are the key properties of tert-butyl 2-ethenyl-4-trimethylsilyloxypyrrolidine-1-carboxylate?
tert-butyl 2-ethenyl-4-trimethylsilyloxypyrrolidine-1-carboxylate has a molecular weight of 285.46 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethenyl-4-trimethylsilyloxypyrrolidine-1-carboxylate is sourced from PubChem (CID 134965741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).