tert-butyl-[[(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane

C16H31NOSi — CID 10016594

IUPACtert-butyl-[[(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane
SMILESC=C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]2CC[C@H]1N2C
InChIInChI=1S/C16H31NOSi/c1-8-13-14-10-9-12(17(14)5)11-15(13)18-19(6,7)16(2,3)4/h8,12-15H,1,9-11H2,2-7H3/t12-,13+,14+,15-/m0/s1
InChIKeyHYEKOJYAJOCPRM-YJNKXOJESA-N
MW281.52 g/mol
LogP4.05
Rot. Bonds3

About tert-butyl-[[(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane

tert-butyl-[[(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane (PubChem CID 10016594) has the molecular formula C16H31NOSi and a molecular weight of 281.52 g/mol. Its IUPAC name is tert-butyl-[[(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane
PubChem CID10016594
Molecular FormulaC16H31NOSi
Molecular Weight281.52 g/mol
Exact Mass281.22
IUPAC Nametert-butyl-[[(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane
SMILESC=C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]2CC[C@H]1N2C
InChIInChI=1S/C16H31NOSi/c1-8-13-14-10-9-12(17(14)5)11-15(13)18-19(6,7)16(2,3)4/h8,12-15H,1,9-11H2,2-7H3/t12-,13+,14+,15-/m0/s1
InChIKeyHYEKOJYAJOCPRM-YJNKXOJESA-N
XLogP4.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.52
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[[(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane (CID 10016594) is tert-butyl-[[(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane is C=C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]2CC[C@H]1N2C.
What is the InChIKey of tert-butyl-[[(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane?
The InChIKey is HYEKOJYAJOCPRM-YJNKXOJESA-N. The full InChI is InChI=1S/C16H31NOSi/c1-8-13-14-10-9-12(17(14)5)11-15(13)18-19(6,7)16(2,3)4/h8,12-15H,1,9-11H2,2-7H3/t12-,13+,14+,15-/m0/s1.
What are the key properties of tert-butyl-[[(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane?
tert-butyl-[[(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane has a molecular weight of 281.52 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 10016594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).