2,6-ditert-butyl-8-methoxyquinoxaline

C17H24N2O — CID 134411123

IUPAC2,6-ditert-butyl-8-methoxyquinoxaline
SMILESCOc1cc(C(C)(C)C)cc2ncc(C(C)(C)C)nc12
InChIInChI=1S/C17H24N2O/c1-16(2,3)11-8-12-15(13(9-11)20-7)19-14(10-18-12)17(4,5)6/h8-10H,1-7H3
InChIKeyHHNCYVYFITVIJH-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.23
Rot. Bonds1

About 2,6-ditert-butyl-8-methoxyquinoxaline

2,6-ditert-butyl-8-methoxyquinoxaline (PubChem CID 134411123) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2,6-ditert-butyl-8-methoxyquinoxaline.

Molecular Properties

Compound Name2,6-ditert-butyl-8-methoxyquinoxaline
PubChem CID134411123
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2,6-ditert-butyl-8-methoxyquinoxaline
SMILESCOc1cc(C(C)(C)C)cc2ncc(C(C)(C)C)nc12
InChIInChI=1S/C17H24N2O/c1-16(2,3)11-8-12-15(13(9-11)20-7)19-14(10-18-12)17(4,5)6/h8-10H,1-7H3
InChIKeyHHNCYVYFITVIJH-UHFFFAOYSA-N
XLogP4.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-8-methoxyquinoxaline?
The IUPAC name of 2,6-ditert-butyl-8-methoxyquinoxaline (CID 134411123) is 2,6-ditert-butyl-8-methoxyquinoxaline.
What is the SMILES notation for 2,6-ditert-butyl-8-methoxyquinoxaline?
The canonical SMILES for 2,6-ditert-butyl-8-methoxyquinoxaline is COc1cc(C(C)(C)C)cc2ncc(C(C)(C)C)nc12.
What is the InChIKey of 2,6-ditert-butyl-8-methoxyquinoxaline?
The InChIKey is HHNCYVYFITVIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-16(2,3)11-8-12-15(13(9-11)20-7)19-14(10-18-12)17(4,5)6/h8-10H,1-7H3.
What are the key properties of 2,6-ditert-butyl-8-methoxyquinoxaline?
2,6-ditert-butyl-8-methoxyquinoxaline has a molecular weight of 272.39 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-8-methoxyquinoxaline is sourced from PubChem (CID 134411123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).