2-(diethoxymethyl)-5,6-bis(ethoxymethyl)-3-methylpyrazine

C16H28N2O4 — CID 24866073

IUPAC2-(diethoxymethyl)-5,6-bis(ethoxymethyl)-3-methylpyrazine
SMILESCCOCc1nc(C)c(C(OCC)OCC)nc1COCC
InChIInChI=1S/C16H28N2O4/c1-6-19-10-13-14(11-20-7-2)18-15(12(5)17-13)16(21-8-3)22-9-4/h16H,6-11H2,1-5H3
InChIKeyMOKHBJHEVUTGIE-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.93
Rot. Bonds11

About 2-(diethoxymethyl)-5,6-bis(ethoxymethyl)-3-methylpyrazine

2-(diethoxymethyl)-5,6-bis(ethoxymethyl)-3-methylpyrazine (PubChem CID 24866073) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-(diethoxymethyl)-5,6-bis(ethoxymethyl)-3-methylpyrazine.

Molecular Properties

Compound Name2-(diethoxymethyl)-5,6-bis(ethoxymethyl)-3-methylpyrazine
PubChem CID24866073
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name2-(diethoxymethyl)-5,6-bis(ethoxymethyl)-3-methylpyrazine
SMILESCCOCc1nc(C)c(C(OCC)OCC)nc1COCC
InChIInChI=1S/C16H28N2O4/c1-6-19-10-13-14(11-20-7-2)18-15(12(5)17-13)16(21-8-3)22-9-4/h16H,6-11H2,1-5H3
InChIKeyMOKHBJHEVUTGIE-UHFFFAOYSA-N
XLogP2.93
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethyl)-5,6-bis(ethoxymethyl)-3-methylpyrazine?
The IUPAC name of 2-(diethoxymethyl)-5,6-bis(ethoxymethyl)-3-methylpyrazine (CID 24866073) is 2-(diethoxymethyl)-5,6-bis(ethoxymethyl)-3-methylpyrazine.
What is the SMILES notation for 2-(diethoxymethyl)-5,6-bis(ethoxymethyl)-3-methylpyrazine?
The canonical SMILES for 2-(diethoxymethyl)-5,6-bis(ethoxymethyl)-3-methylpyrazine is CCOCc1nc(C)c(C(OCC)OCC)nc1COCC.
What is the InChIKey of 2-(diethoxymethyl)-5,6-bis(ethoxymethyl)-3-methylpyrazine?
The InChIKey is MOKHBJHEVUTGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-6-19-10-13-14(11-20-7-2)18-15(12(5)17-13)16(21-8-3)22-9-4/h16H,6-11H2,1-5H3.
What are the key properties of 2-(diethoxymethyl)-5,6-bis(ethoxymethyl)-3-methylpyrazine?
2-(diethoxymethyl)-5,6-bis(ethoxymethyl)-3-methylpyrazine has a molecular weight of 312.41 g/mol, XLogP of 2.93, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethyl)-5,6-bis(ethoxymethyl)-3-methylpyrazine is sourced from PubChem (CID 24866073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).