tert-butyl-dimethyl-[[(1S,4R)-3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.2]oct-5-en-5-yl]oxy]silane

C17H26N2O2Si — CID 102522757

IUPACtert-butyl-dimethyl-[[(1S,4R)-3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.2]oct-5-en-5-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)OC1=C[C@@H]2CC[C@H]1N(c1ccccn1)O2
InChIInChI=1S/C17H26N2O2Si/c1-17(2,3)22(4,5)21-15-12-13-9-10-14(15)19(20-13)16-8-6-7-11-18-16/h6-8,11-14H,9-10H2,1-5H3/t13-,14+/m0/s1
InChIKeyVBFDBCZPQKPBEE-UONOGXRCSA-N
MW318.49 g/mol
LogP4.27
Rot. Bonds3

About tert-butyl-dimethyl-[[(1S,4R)-3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.2]oct-5-en-5-yl]oxy]silane

tert-butyl-dimethyl-[[(1S,4R)-3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.2]oct-5-en-5-yl]oxy]silane (PubChem CID 102522757) has the molecular formula C17H26N2O2Si and a molecular weight of 318.49 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,4R)-3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.2]oct-5-en-5-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,4R)-3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.2]oct-5-en-5-yl]oxy]silane
PubChem CID102522757
Molecular FormulaC17H26N2O2Si
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC Nametert-butyl-dimethyl-[[(1S,4R)-3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.2]oct-5-en-5-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)OC1=C[C@@H]2CC[C@H]1N(c1ccccn1)O2
InChIInChI=1S/C17H26N2O2Si/c1-17(2,3)22(4,5)21-15-12-13-9-10-14(15)19(20-13)16-8-6-7-11-18-16/h6-8,11-14H,9-10H2,1-5H3/t13-,14+/m0/s1
InChIKeyVBFDBCZPQKPBEE-UONOGXRCSA-N
XLogP4.27
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 54.27
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 tert-butyl-dimethyl-[[(1S,4R)-3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.2]oct-5-en-5-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,4R)-3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.2]oct-5-en-5-yl]oxy]silane (CID 102522757) is tert-butyl-dimethyl-[[(1S,4R)-3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.2]oct-5-en-5-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,4R)-3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.2]oct-5-en-5-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,4R)-3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.2]oct-5-en-5-yl]oxy]silane is CC(C)(C)[Si](C)(C)OC1=C[C@@H]2CC[C@H]1N(c1ccccn1)O2.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,4R)-3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.2]oct-5-en-5-yl]oxy]silane?
The InChIKey is VBFDBCZPQKPBEE-UONOGXRCSA-N. The full InChI is InChI=1S/C17H26N2O2Si/c1-17(2,3)22(4,5)21-15-12-13-9-10-14(15)19(20-13)16-8-6-7-11-18-16/h6-8,11-14H,9-10H2,1-5H3/t13-,14+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,4R)-3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.2]oct-5-en-5-yl]oxy]silane?
tert-butyl-dimethyl-[[(1S,4R)-3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.2]oct-5-en-5-yl]oxy]silane has a molecular weight of 318.49 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,4R)-3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.2]oct-5-en-5-yl]oxy]silane is sourced from PubChem (CID 102522757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).