3-azabicyclo[4.1.0]heptan-4-ylmethoxy-tert-butyl-diphenylsilane

C23H31NOSi — CID 71187339

IUPAC3-azabicyclo[4.1.0]heptan-4-ylmethoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCC1CC2CC2CN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NOSi/c1-23(2,3)26(21-10-6-4-7-11-21,22-12-8-5-9-13-22)25-17-20-15-18-14-19(18)16-24-20/h4-13,18-20,24H,14-17H2,1-3H3
InChIKeyMCOWLVUQWGTNJE-UHFFFAOYSA-N
MW365.59 g/mol
LogP3.56
Rot. Bonds5

About 3-azabicyclo[4.1.0]heptan-4-ylmethoxy-tert-butyl-diphenylsilane

3-azabicyclo[4.1.0]heptan-4-ylmethoxy-tert-butyl-diphenylsilane (PubChem CID 71187339) has the molecular formula C23H31NOSi and a molecular weight of 365.59 g/mol. Its IUPAC name is 3-azabicyclo[4.1.0]heptan-4-ylmethoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name3-azabicyclo[4.1.0]heptan-4-ylmethoxy-tert-butyl-diphenylsilane
PubChem CID71187339
Molecular FormulaC23H31NOSi
Molecular Weight365.59 g/mol
Exact Mass365.22
IUPAC Name3-azabicyclo[4.1.0]heptan-4-ylmethoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCC1CC2CC2CN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NOSi/c1-23(2,3)26(21-10-6-4-7-11-21,22-12-8-5-9-13-22)25-17-20-15-18-14-19(18)16-24-20/h4-13,18-20,24H,14-17H2,1-3H3
InChIKeyMCOWLVUQWGTNJE-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.59
LogP ≤ 53.56
H-Bond Donors ≤ 51
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 3-azabicyclo[4.1.0]heptan-4-ylmethoxy-tert-butyl-diphenylsilane?
The IUPAC name of 3-azabicyclo[4.1.0]heptan-4-ylmethoxy-tert-butyl-diphenylsilane (CID 71187339) is 3-azabicyclo[4.1.0]heptan-4-ylmethoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 3-azabicyclo[4.1.0]heptan-4-ylmethoxy-tert-butyl-diphenylsilane?
The canonical SMILES for 3-azabicyclo[4.1.0]heptan-4-ylmethoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OCC1CC2CC2CN1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-azabicyclo[4.1.0]heptan-4-ylmethoxy-tert-butyl-diphenylsilane?
The InChIKey is MCOWLVUQWGTNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NOSi/c1-23(2,3)26(21-10-6-4-7-11-21,22-12-8-5-9-13-22)25-17-20-15-18-14-19(18)16-24-20/h4-13,18-20,24H,14-17H2,1-3H3.
What are the key properties of 3-azabicyclo[4.1.0]heptan-4-ylmethoxy-tert-butyl-diphenylsilane?
3-azabicyclo[4.1.0]heptan-4-ylmethoxy-tert-butyl-diphenylsilane has a molecular weight of 365.59 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[4.1.0]heptan-4-ylmethoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 71187339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).