9-tert-butyl-1-oxa-9-azaspiro[5.5]undecan-3-ol

C13H25NO2 — CID 67988690

IUPAC9-tert-butyl-1-oxa-9-azaspiro[5.5]undecan-3-ol
SMILESCC(C)(C)N1CCC2(CCC(O)CO2)CC1
InChIInChI=1S/C13H25NO2/c1-12(2,3)14-8-6-13(7-9-14)5-4-11(15)10-16-13/h11,15H,4-10H2,1-3H3
InChIKeyGTHACZBPIUGQSH-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.79
Rot. Bonds

About 9-tert-butyl-1-oxa-9-azaspiro[5.5]undecan-3-ol

9-tert-butyl-1-oxa-9-azaspiro[5.5]undecan-3-ol (PubChem CID 67988690) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 9-tert-butyl-1-oxa-9-azaspiro[5.5]undecan-3-ol.

Molecular Properties

Compound Name9-tert-butyl-1-oxa-9-azaspiro[5.5]undecan-3-ol
PubChem CID67988690
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name9-tert-butyl-1-oxa-9-azaspiro[5.5]undecan-3-ol
SMILESCC(C)(C)N1CCC2(CCC(O)CO2)CC1
InChIInChI=1S/C13H25NO2/c1-12(2,3)14-8-6-13(7-9-14)5-4-11(15)10-16-13/h11,15H,4-10H2,1-3H3
InChIKeyGTHACZBPIUGQSH-UHFFFAOYSA-N
XLogP1.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-1-oxa-9-azaspiro[5.5]undecan-3-ol?
The IUPAC name of 9-tert-butyl-1-oxa-9-azaspiro[5.5]undecan-3-ol (CID 67988690) is 9-tert-butyl-1-oxa-9-azaspiro[5.5]undecan-3-ol.
What is the SMILES notation for 9-tert-butyl-1-oxa-9-azaspiro[5.5]undecan-3-ol?
The canonical SMILES for 9-tert-butyl-1-oxa-9-azaspiro[5.5]undecan-3-ol is CC(C)(C)N1CCC2(CCC(O)CO2)CC1.
What is the InChIKey of 9-tert-butyl-1-oxa-9-azaspiro[5.5]undecan-3-ol?
The InChIKey is GTHACZBPIUGQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(2,3)14-8-6-13(7-9-14)5-4-11(15)10-16-13/h11,15H,4-10H2,1-3H3.
What are the key properties of 9-tert-butyl-1-oxa-9-azaspiro[5.5]undecan-3-ol?
9-tert-butyl-1-oxa-9-azaspiro[5.5]undecan-3-ol has a molecular weight of 227.35 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-1-oxa-9-azaspiro[5.5]undecan-3-ol is sourced from PubChem (CID 67988690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).