tert-butyl 3-methyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate

C16H31NO3Si — CID 158241901

IUPACtert-butyl 3-methyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1CC(C)(O[Si](C)(C)C)C2
InChIInChI=1S/C16H31NO3Si/c1-15(2,3)19-14(18)17-12-8-9-13(17)11-16(4,10-12)20-21(5,6)7/h12-13H,8-11H2,1-7H3
InChIKeyOZPXQJPIACJFCR-UHFFFAOYSA-N
MW313.51 g/mol
LogP4.16
Rot. Bonds2

About tert-butyl 3-methyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 3-methyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 158241901) has the molecular formula C16H31NO3Si and a molecular weight of 313.51 g/mol. Its IUPAC name is tert-butyl 3-methyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID158241901
Molecular FormulaC16H31NO3Si
Molecular Weight313.51 g/mol
Exact Mass313.21
IUPAC Nametert-butyl 3-methyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1CC(C)(O[Si](C)(C)C)C2
InChIInChI=1S/C16H31NO3Si/c1-15(2,3)19-14(18)17-12-8-9-13(17)11-16(4,10-12)20-21(5,6)7/h12-13H,8-11H2,1-7H3
InChIKeyOZPXQJPIACJFCR-UHFFFAOYSA-N
XLogP4.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 3-methyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 158241901) is tert-butyl 3-methyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate is CC(C)(C)OC(=O)N1C2CCC1CC(C)(O[Si](C)(C)C)C2.
What is the InChIKey of tert-butyl 3-methyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is OZPXQJPIACJFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3Si/c1-15(2,3)19-14(18)17-12-8-9-13(17)11-16(4,10-12)20-21(5,6)7/h12-13H,8-11H2,1-7H3.
What are the key properties of tert-butyl 3-methyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 3-methyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 313.51 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 158241901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).