9-tert-butyl-1-oxa-9-azaspiro[5.5]undecane

C13H25NO — CID 135252229

IUPAC9-tert-butyl-1-oxa-9-azaspiro[5.5]undecane
SMILESCC(C)(C)N1CCC2(CCCCO2)CC1
InChIInChI=1S/C13H25NO/c1-12(2,3)14-9-7-13(8-10-14)6-4-5-11-15-13/h4-11H2,1-3H3
InChIKeyDIWURFHWJCIFIH-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.82
Rot. Bonds

About 9-tert-butyl-1-oxa-9-azaspiro[5.5]undecane

9-tert-butyl-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 135252229) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 9-tert-butyl-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-tert-butyl-1-oxa-9-azaspiro[5.5]undecane
PubChem CID135252229
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name9-tert-butyl-1-oxa-9-azaspiro[5.5]undecane
SMILESCC(C)(C)N1CCC2(CCCCO2)CC1
InChIInChI=1S/C13H25NO/c1-12(2,3)14-9-7-13(8-10-14)6-4-5-11-15-13/h4-11H2,1-3H3
InChIKeyDIWURFHWJCIFIH-UHFFFAOYSA-N
XLogP2.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-tert-butyl-1-oxa-9-azaspiro[5.5]undecane (CID 135252229) is 9-tert-butyl-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-tert-butyl-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-tert-butyl-1-oxa-9-azaspiro[5.5]undecane is CC(C)(C)N1CCC2(CCCCO2)CC1.
What is the InChIKey of 9-tert-butyl-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is DIWURFHWJCIFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2,3)14-9-7-13(8-10-14)6-4-5-11-15-13/h4-11H2,1-3H3.
What are the key properties of 9-tert-butyl-1-oxa-9-azaspiro[5.5]undecane?
9-tert-butyl-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 211.35 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 135252229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).