8-tert-butyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane

C13H25NO2 — CID 126502691

IUPAC8-tert-butyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCOC1COC2(CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C13H25NO2/c1-12(2,3)14-7-5-13(6-8-14)9-11(15-4)10-16-13/h11H,5-10H2,1-4H3
InChIKeyYKGDBGGRSMDPOY-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.05
Rot. Bonds1

About 8-tert-butyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane

8-tert-butyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 126502691) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 8-tert-butyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-tert-butyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID126502691
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name8-tert-butyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCOC1COC2(CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C13H25NO2/c1-12(2,3)14-7-5-13(6-8-14)9-11(15-4)10-16-13/h11H,5-10H2,1-4H3
InChIKeyYKGDBGGRSMDPOY-UHFFFAOYSA-N
XLogP2.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-tert-butyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane (CID 126502691) is 8-tert-butyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-tert-butyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-tert-butyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane is COC1COC2(CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of 8-tert-butyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is YKGDBGGRSMDPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(2,3)14-7-5-13(6-8-14)9-11(15-4)10-16-13/h11H,5-10H2,1-4H3.
What are the key properties of 8-tert-butyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
8-tert-butyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 227.35 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 126502691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).