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

C16H30ClNOSi — CID 10335881

IUPACtert-butyl-[[(1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane
SMILESCN1[C@H]2CC[C@@H]1[C@@H](/C=C/Cl)[C@@H](O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C16H30ClNOSi/c1-16(2,3)20(5,6)19-15-11-12-7-8-14(18(12)4)13(15)9-10-17/h9-10,12-15H,7-8,11H2,1-6H3/b10-9+/t12-,13+,14+,15-/m0/s1
InChIKeySPMHASSGKMVXPK-PMKWECCVSA-N
MW315.96 g/mol
LogP4.61
Rot. Bonds3

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

tert-butyl-[[(1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane (PubChem CID 10335881) has the molecular formula C16H30ClNOSi and a molecular weight of 315.96 g/mol. Its IUPAC name is tert-butyl-[[(1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane
PubChem CID10335881
Molecular FormulaC16H30ClNOSi
Molecular Weight315.96 g/mol
Exact Mass315.18
IUPAC Nametert-butyl-[[(1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane
SMILESCN1[C@H]2CC[C@@H]1[C@@H](/C=C/Cl)[C@@H](O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C16H30ClNOSi/c1-16(2,3)20(5,6)19-15-11-12-7-8-14(18(12)4)13(15)9-10-17/h9-10,12-15H,7-8,11H2,1-6H3/b10-9+/t12-,13+,14+,15-/m0/s1
InChIKeySPMHASSGKMVXPK-PMKWECCVSA-N
XLogP4.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.96
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[[(1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane (CID 10335881) is tert-butyl-[[(1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-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-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane is CN1[C@H]2CC[C@@H]1[C@@H](/C=C/Cl)[C@@H](O[Si](C)(C)C(C)(C)C)C2.
What is the InChIKey of tert-butyl-[[(1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane?
The InChIKey is SPMHASSGKMVXPK-PMKWECCVSA-N. The full InChI is InChI=1S/C16H30ClNOSi/c1-16(2,3)20(5,6)19-15-11-12-7-8-14(18(12)4)13(15)9-10-17/h9-10,12-15H,7-8,11H2,1-6H3/b10-9+/t12-,13+,14+,15-/m0/s1.
What are the key properties of tert-butyl-[[(1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane?
tert-butyl-[[(1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane has a molecular weight of 315.96 g/mol, XLogP of 4.61, 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-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 10335881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).