7-tert-butyl-1-oxa-7-azaspiro[4.4]nonane

C11H21NO — CID 121308337

IUPAC7-tert-butyl-1-oxa-7-azaspiro[4.4]nonane
SMILESCC(C)(C)N1CCC2(CCCO2)C1
InChIInChI=1S/C11H21NO/c1-10(2,3)12-7-6-11(9-12)5-4-8-13-11/h4-9H2,1-3H3
InChIKeyKFYLEIBMBOJJRB-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.04
Rot. Bonds

About 7-tert-butyl-1-oxa-7-azaspiro[4.4]nonane

7-tert-butyl-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 121308337) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 7-tert-butyl-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-tert-butyl-1-oxa-7-azaspiro[4.4]nonane
PubChem CID121308337
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name7-tert-butyl-1-oxa-7-azaspiro[4.4]nonane
SMILESCC(C)(C)N1CCC2(CCCO2)C1
InChIInChI=1S/C11H21NO/c1-10(2,3)12-7-6-11(9-12)5-4-8-13-11/h4-9H2,1-3H3
InChIKeyKFYLEIBMBOJJRB-UHFFFAOYSA-N
XLogP2.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-tert-butyl-1-oxa-7-azaspiro[4.4]nonane (CID 121308337) is 7-tert-butyl-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-tert-butyl-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-tert-butyl-1-oxa-7-azaspiro[4.4]nonane is CC(C)(C)N1CCC2(CCCO2)C1.
What is the InChIKey of 7-tert-butyl-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is KFYLEIBMBOJJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2,3)12-7-6-11(9-12)5-4-8-13-11/h4-9H2,1-3H3.
What are the key properties of 7-tert-butyl-1-oxa-7-azaspiro[4.4]nonane?
7-tert-butyl-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 183.29 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 121308337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).