3-(6-methoxypyrazin-2-yl)-2,2-dimethyloctan-3-ol

C15H26N2O2 — CID 14553050

IUPAC3-(6-methoxypyrazin-2-yl)-2,2-dimethyloctan-3-ol
SMILESCCCCCC(O)(c1cncc(OC)n1)C(C)(C)C
InChIInChI=1S/C15H26N2O2/c1-6-7-8-9-15(18,14(2,3)4)12-10-16-11-13(17-12)19-5/h10-11,18H,6-9H2,1-5H3
InChIKeyYQCIJJJUZPQWPW-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.30
Rot. Bonds6

About 3-(6-methoxypyrazin-2-yl)-2,2-dimethyloctan-3-ol

3-(6-methoxypyrazin-2-yl)-2,2-dimethyloctan-3-ol (PubChem CID 14553050) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-(6-methoxypyrazin-2-yl)-2,2-dimethyloctan-3-ol.

Molecular Properties

Compound Name3-(6-methoxypyrazin-2-yl)-2,2-dimethyloctan-3-ol
PubChem CID14553050
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-(6-methoxypyrazin-2-yl)-2,2-dimethyloctan-3-ol
SMILESCCCCCC(O)(c1cncc(OC)n1)C(C)(C)C
InChIInChI=1S/C15H26N2O2/c1-6-7-8-9-15(18,14(2,3)4)12-10-16-11-13(17-12)19-5/h10-11,18H,6-9H2,1-5H3
InChIKeyYQCIJJJUZPQWPW-UHFFFAOYSA-N
XLogP3.30
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxypyrazin-2-yl)-2,2-dimethyloctan-3-ol?
The IUPAC name of 3-(6-methoxypyrazin-2-yl)-2,2-dimethyloctan-3-ol (CID 14553050) is 3-(6-methoxypyrazin-2-yl)-2,2-dimethyloctan-3-ol.
What is the SMILES notation for 3-(6-methoxypyrazin-2-yl)-2,2-dimethyloctan-3-ol?
The canonical SMILES for 3-(6-methoxypyrazin-2-yl)-2,2-dimethyloctan-3-ol is CCCCCC(O)(c1cncc(OC)n1)C(C)(C)C.
What is the InChIKey of 3-(6-methoxypyrazin-2-yl)-2,2-dimethyloctan-3-ol?
The InChIKey is YQCIJJJUZPQWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-6-7-8-9-15(18,14(2,3)4)12-10-16-11-13(17-12)19-5/h10-11,18H,6-9H2,1-5H3.
What are the key properties of 3-(6-methoxypyrazin-2-yl)-2,2-dimethyloctan-3-ol?
3-(6-methoxypyrazin-2-yl)-2,2-dimethyloctan-3-ol has a molecular weight of 266.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxypyrazin-2-yl)-2,2-dimethyloctan-3-ol is sourced from PubChem (CID 14553050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).