2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) piperidine-1,2-dicarboxylate

C17H33NO4Si — CID 6429999

IUPAC2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) piperidine-1,2-dicarboxylate
SMILESCC(C)COC(=O)N1CCCCC1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33NO4Si/c1-13(2)12-21-16(20)18-11-9-8-10-14(18)15(19)22-23(6,7)17(3,4)5/h13-14H,8-12H2,1-7H3
InChIKeyOAJDWZCNOVIFBN-UHFFFAOYSA-N
MW343.54 g/mol
LogP4.18
Rot. Bonds4

About 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) piperidine-1,2-dicarboxylate

2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) piperidine-1,2-dicarboxylate (PubChem CID 6429999) has the molecular formula C17H33NO4Si and a molecular weight of 343.54 g/mol. Its IUPAC name is 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) piperidine-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) piperidine-1,2-dicarboxylate
PubChem CID6429999
Molecular FormulaC17H33NO4Si
Molecular Weight343.54 g/mol
Exact Mass343.22
IUPAC Name2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) piperidine-1,2-dicarboxylate
SMILESCC(C)COC(=O)N1CCCCC1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33NO4Si/c1-13(2)12-21-16(20)18-11-9-8-10-14(18)15(19)22-23(6,7)17(3,4)5/h13-14H,8-12H2,1-7H3
InChIKeyOAJDWZCNOVIFBN-UHFFFAOYSA-N
XLogP4.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) piperidine-1,2-dicarboxylate?
The IUPAC name of 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) piperidine-1,2-dicarboxylate (CID 6429999) is 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) piperidine-1,2-dicarboxylate.
What is the SMILES notation for 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) piperidine-1,2-dicarboxylate?
The canonical SMILES for 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) piperidine-1,2-dicarboxylate is CC(C)COC(=O)N1CCCCC1C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) piperidine-1,2-dicarboxylate?
The InChIKey is OAJDWZCNOVIFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO4Si/c1-13(2)12-21-16(20)18-11-9-8-10-14(18)15(19)22-23(6,7)17(3,4)5/h13-14H,8-12H2,1-7H3.
What are the key properties of 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) piperidine-1,2-dicarboxylate?
2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) piperidine-1,2-dicarboxylate has a molecular weight of 343.54 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) piperidine-1,2-dicarboxylate is sourced from PubChem (CID 6429999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).