[tert-butyl(dimethyl)silyl]oxymethyl 2,2-dimethylpyrrolidine-1-carboxylate

C14H29NO3Si — CID 163406223

IUPAC[tert-butyl(dimethyl)silyl]oxymethyl 2,2-dimethylpyrrolidine-1-carboxylate
SMILESCC1(C)CCCN1C(=O)OCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29NO3Si/c1-13(2,3)19(6,7)18-11-17-12(16)15-10-8-9-14(15,4)5/h8-11H2,1-7H3
InChIKeyWAJOXIFCRNWLSX-UHFFFAOYSA-N
MW287.48 g/mol
LogP3.98
Rot. Bonds3

About [tert-butyl(dimethyl)silyl]oxymethyl 2,2-dimethylpyrrolidine-1-carboxylate

[tert-butyl(dimethyl)silyl]oxymethyl 2,2-dimethylpyrrolidine-1-carboxylate (PubChem CID 163406223) has the molecular formula C14H29NO3Si and a molecular weight of 287.48 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl]oxymethyl 2,2-dimethylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl]oxymethyl 2,2-dimethylpyrrolidine-1-carboxylate
PubChem CID163406223
Molecular FormulaC14H29NO3Si
Molecular Weight287.48 g/mol
Exact Mass287.19
IUPAC Name[tert-butyl(dimethyl)silyl]oxymethyl 2,2-dimethylpyrrolidine-1-carboxylate
SMILESCC1(C)CCCN1C(=O)OCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29NO3Si/c1-13(2,3)19(6,7)18-11-17-12(16)15-10-8-9-14(15,4)5/h8-11H2,1-7H3
InChIKeyWAJOXIFCRNWLSX-UHFFFAOYSA-N
XLogP3.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.48
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl]oxymethyl 2,2-dimethylpyrrolidine-1-carboxylate?
The IUPAC name of [tert-butyl(dimethyl)silyl]oxymethyl 2,2-dimethylpyrrolidine-1-carboxylate (CID 163406223) is [tert-butyl(dimethyl)silyl]oxymethyl 2,2-dimethylpyrrolidine-1-carboxylate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl]oxymethyl 2,2-dimethylpyrrolidine-1-carboxylate?
The canonical SMILES for [tert-butyl(dimethyl)silyl]oxymethyl 2,2-dimethylpyrrolidine-1-carboxylate is CC1(C)CCCN1C(=O)OCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl]oxymethyl 2,2-dimethylpyrrolidine-1-carboxylate?
The InChIKey is WAJOXIFCRNWLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3Si/c1-13(2,3)19(6,7)18-11-17-12(16)15-10-8-9-14(15,4)5/h8-11H2,1-7H3.
What are the key properties of [tert-butyl(dimethyl)silyl]oxymethyl 2,2-dimethylpyrrolidine-1-carboxylate?
[tert-butyl(dimethyl)silyl]oxymethyl 2,2-dimethylpyrrolidine-1-carboxylate has a molecular weight of 287.48 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl]oxymethyl 2,2-dimethylpyrrolidine-1-carboxylate is sourced from PubChem (CID 163406223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).