9-tert-butyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane

C14H27NO2 — CID 67988691

IUPAC9-tert-butyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane
SMILESCOC1CCC2(CCN(C(C)(C)C)CC2)OC1
InChIInChI=1S/C14H27NO2/c1-13(2,3)15-9-7-14(8-10-15)6-5-12(16-4)11-17-14/h12H,5-11H2,1-4H3
InChIKeyVLWORLKDDPLZFA-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.44
Rot. Bonds1

About 9-tert-butyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane

9-tert-butyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 67988691) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 9-tert-butyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-tert-butyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane
PubChem CID67988691
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name9-tert-butyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane
SMILESCOC1CCC2(CCN(C(C)(C)C)CC2)OC1
InChIInChI=1S/C14H27NO2/c1-13(2,3)15-9-7-14(8-10-15)6-5-12(16-4)11-17-14/h12H,5-11H2,1-4H3
InChIKeyVLWORLKDDPLZFA-UHFFFAOYSA-N
XLogP2.44
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-Methyl-1-oxa-9-azaspiro[5.5]undecan-3-ol
CID 21050546
9-Methyl-1-oxa-9-azaspiro[5.5]undecane
CID 21050547
9-Tert-butyl-1-oxa-9-azaspiro[5.5]undecan-3-ol
CID 67988690
9-Ethyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane
CID 67989491
3-Methoxy-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane
CID 68039806
3-Methoxy-9-methyl-1-oxa-9-azaspiro[5.5]undecane
CID 89752242
9-Propan-2-yl-1-oxa-9-azaspiro[5.5]undecane
CID 90348088
1-Methyl-9-oxa-1-azaspiro[5.5]undecane
CID 90349687
9-Ethyl-9-methyl-1-oxa-9-azoniaspiro[5.5]undecane
CID 91483519
2,9-Dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane
CID 134242977
9-Tert-butyl-1-oxa-9-azaspiro[5.5]undecane
CID 135252229
2,3-Dimethyl-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane
CID 141690425

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-tert-butyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane (CID 67988691) is 9-tert-butyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-tert-butyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-tert-butyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane is COC1CCC2(CCN(C(C)(C)C)CC2)OC1.
What is the InChIKey of 9-tert-butyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is VLWORLKDDPLZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2,3)15-9-7-14(8-10-15)6-5-12(16-4)11-17-14/h12H,5-11H2,1-4H3.
What are the key properties of 9-tert-butyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane?
9-tert-butyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 241.37 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-3-methoxy-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 67988691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).