2-ethoxy-3-octylpyrazine

C14H24N2O — CID 528314

IUPAC2-ethoxy-3-octylpyrazine
SMILESCCCCCCCCc1nccnc1OCC
InChIInChI=1S/C14H24N2O/c1-3-5-6-7-8-9-10-13-14(17-4-2)16-12-11-15-13/h11-12H,3-10H2,1-2H3
InChIKeyXTUICNHKCKZJSI-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.78
Rot. Bonds9

About 2-ethoxy-3-octylpyrazine

2-ethoxy-3-octylpyrazine (PubChem CID 528314) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-ethoxy-3-octylpyrazine.

Molecular Properties

Compound Name2-ethoxy-3-octylpyrazine
PubChem CID528314
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-ethoxy-3-octylpyrazine
SMILESCCCCCCCCc1nccnc1OCC
InChIInChI=1S/C14H24N2O/c1-3-5-6-7-8-9-10-13-14(17-4-2)16-12-11-15-13/h11-12H,3-10H2,1-2H3
InChIKeyXTUICNHKCKZJSI-UHFFFAOYSA-N
XLogP3.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-ethoxy-3-octylpyrazine?
The IUPAC name of 2-ethoxy-3-octylpyrazine (CID 528314) is 2-ethoxy-3-octylpyrazine.
What is the SMILES notation for 2-ethoxy-3-octylpyrazine?
The canonical SMILES for 2-ethoxy-3-octylpyrazine is CCCCCCCCc1nccnc1OCC.
What is the InChIKey of 2-ethoxy-3-octylpyrazine?
The InChIKey is XTUICNHKCKZJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-5-6-7-8-9-10-13-14(17-4-2)16-12-11-15-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-ethoxy-3-octylpyrazine?
2-ethoxy-3-octylpyrazine has a molecular weight of 236.36 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-octylpyrazine is sourced from PubChem (CID 528314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).