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

C16H30ClNOSi — CID 57077507

IUPACtert-butyl-[[(2R,3S)-2-(2-chloroethenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane
SMILESCN1C2CCC1[C@@H](C=CCl)[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/t12?,13-,14?,15+/m1/s1
InChIKeySPMHASSGKMVXPK-JYVUQVBGSA-N
MW315.96 g/mol
LogP4.61
Rot. Bonds3

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

tert-butyl-[[(2R,3S)-2-(2-chloroethenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane (PubChem CID 57077507) has the molecular formula C16H30ClNOSi and a molecular weight of 315.96 g/mol. Its IUPAC name is tert-butyl-[[(2R,3S)-2-(2-chloroethenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3S)-2-(2-chloroethenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane
PubChem CID57077507
Molecular FormulaC16H30ClNOSi
Molecular Weight315.96 g/mol
Exact Mass315.18
IUPAC Nametert-butyl-[[(2R,3S)-2-(2-chloroethenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane
SMILESCN1C2CCC1[C@@H](C=CCl)[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/t12?,13-,14?,15+/m1/s1
InChIKeySPMHASSGKMVXPK-JYVUQVBGSA-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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Related Compounds

tert-butyl-[[(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane
CID 10016594
3beta-(t-Butyldimethylsilyloxy)-2beta-[(E)-2-chlorovinyl]tropane
CID 10335881
tert-butyl-[[(2R,3S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane
CID 57222483
tert-butyl-[[(2R,3S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane
CID 88436327
(1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 10352802

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3S)-2-(2-chloroethenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2R,3S)-2-(2-chloroethenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane (CID 57077507) is tert-butyl-[[(2R,3S)-2-(2-chloroethenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3S)-2-(2-chloroethenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2R,3S)-2-(2-chloroethenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane is CN1C2CCC1[C@@H](C=CCl)[C@@H](O[Si](C)(C)C(C)(C)C)C2.
What is the InChIKey of tert-butyl-[[(2R,3S)-2-(2-chloroethenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane?
The InChIKey is SPMHASSGKMVXPK-JYVUQVBGSA-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/t12?,13-,14?,15+/m1/s1.
What are the key properties of tert-butyl-[[(2R,3S)-2-(2-chloroethenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane?
tert-butyl-[[(2R,3S)-2-(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-[[(2R,3S)-2-(2-chloroethenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 57077507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).