2-decyl-3-ethoxypyrazine

C16H28N2O — CID 528299

IUPAC2-decyl-3-ethoxypyrazine
SMILESCCCCCCCCCCc1nccnc1OCC
InChIInChI=1S/C16H28N2O/c1-3-5-6-7-8-9-10-11-12-15-16(19-4-2)18-14-13-17-15/h13-14H,3-12H2,1-2H3
InChIKeyNMEXWBIKLCVCPW-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.56
Rot. Bonds11

About 2-decyl-3-ethoxypyrazine

2-decyl-3-ethoxypyrazine (PubChem CID 528299) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-decyl-3-ethoxypyrazine.

Molecular Properties

Compound Name2-decyl-3-ethoxypyrazine
PubChem CID528299
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-decyl-3-ethoxypyrazine
SMILESCCCCCCCCCCc1nccnc1OCC
InChIInChI=1S/C16H28N2O/c1-3-5-6-7-8-9-10-11-12-15-16(19-4-2)18-14-13-17-15/h13-14H,3-12H2,1-2H3
InChIKeyNMEXWBIKLCVCPW-UHFFFAOYSA-N
XLogP4.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.56
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-decyl-3-ethoxypyrazine?
The IUPAC name of 2-decyl-3-ethoxypyrazine (CID 528299) is 2-decyl-3-ethoxypyrazine.
What is the SMILES notation for 2-decyl-3-ethoxypyrazine?
The canonical SMILES for 2-decyl-3-ethoxypyrazine is CCCCCCCCCCc1nccnc1OCC.
What is the InChIKey of 2-decyl-3-ethoxypyrazine?
The InChIKey is NMEXWBIKLCVCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-5-6-7-8-9-10-11-12-15-16(19-4-2)18-14-13-17-15/h13-14H,3-12H2,1-2H3.
What are the key properties of 2-decyl-3-ethoxypyrazine?
2-decyl-3-ethoxypyrazine has a molecular weight of 264.41 g/mol, XLogP of 4.56, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-3-ethoxypyrazine is sourced from PubChem (CID 528299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).