3-tert-butyl-6-(2,2-dimethylpropyl)-1-oxa-2-azaspiro[4.5]dec-2-ene

C17H31NO — CID 58719601

IUPAC3-tert-butyl-6-(2,2-dimethylpropyl)-1-oxa-2-azaspiro[4.5]dec-2-ene
SMILESCC(C)(C)CC1CCCCC12CC(C(C)(C)C)=NO2
InChIInChI=1S/C17H31NO/c1-15(2,3)11-13-9-7-8-10-17(13)12-14(18-19-17)16(4,5)6/h13H,7-12H2,1-6H3
InChIKeyZVUMJMDDLHRVGM-UHFFFAOYSA-N
MW265.44 g/mol
LogP5.17
Rot. Bonds1

About 3-tert-butyl-6-(2,2-dimethylpropyl)-1-oxa-2-azaspiro[4.5]dec-2-ene

3-tert-butyl-6-(2,2-dimethylpropyl)-1-oxa-2-azaspiro[4.5]dec-2-ene (PubChem CID 58719601) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 3-tert-butyl-6-(2,2-dimethylpropyl)-1-oxa-2-azaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-tert-butyl-6-(2,2-dimethylpropyl)-1-oxa-2-azaspiro[4.5]dec-2-ene
PubChem CID58719601
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name3-tert-butyl-6-(2,2-dimethylpropyl)-1-oxa-2-azaspiro[4.5]dec-2-ene
SMILESCC(C)(C)CC1CCCCC12CC(C(C)(C)C)=NO2
InChIInChI=1S/C17H31NO/c1-15(2,3)11-13-9-7-8-10-17(13)12-14(18-19-17)16(4,5)6/h13H,7-12H2,1-6H3
InChIKeyZVUMJMDDLHRVGM-UHFFFAOYSA-N
XLogP5.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.44
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-(2,2-dimethylpropyl)-1-oxa-2-azaspiro[4.5]dec-2-ene?
The IUPAC name of 3-tert-butyl-6-(2,2-dimethylpropyl)-1-oxa-2-azaspiro[4.5]dec-2-ene (CID 58719601) is 3-tert-butyl-6-(2,2-dimethylpropyl)-1-oxa-2-azaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-tert-butyl-6-(2,2-dimethylpropyl)-1-oxa-2-azaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-tert-butyl-6-(2,2-dimethylpropyl)-1-oxa-2-azaspiro[4.5]dec-2-ene is CC(C)(C)CC1CCCCC12CC(C(C)(C)C)=NO2.
What is the InChIKey of 3-tert-butyl-6-(2,2-dimethylpropyl)-1-oxa-2-azaspiro[4.5]dec-2-ene?
The InChIKey is ZVUMJMDDLHRVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-15(2,3)11-13-9-7-8-10-17(13)12-14(18-19-17)16(4,5)6/h13H,7-12H2,1-6H3.
What are the key properties of 3-tert-butyl-6-(2,2-dimethylpropyl)-1-oxa-2-azaspiro[4.5]dec-2-ene?
3-tert-butyl-6-(2,2-dimethylpropyl)-1-oxa-2-azaspiro[4.5]dec-2-ene has a molecular weight of 265.44 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-(2,2-dimethylpropyl)-1-oxa-2-azaspiro[4.5]dec-2-ene is sourced from PubChem (CID 58719601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).