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

C16H28N2O4 — CID 24865886

IUPAC2-(diethoxymethyl)-3,6-bis(ethoxymethyl)-5-methylpyrazine
SMILESCCOCc1nc(C(OCC)OCC)c(COCC)nc1C
InChIInChI=1S/C16H28N2O4/c1-6-19-10-13-12(5)17-14(11-20-7-2)15(18-13)16(21-8-3)22-9-4/h16H,6-11H2,1-5H3
InChIKeyZFYZYXMYOAUBPS-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.93
Rot. Bonds11

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

2-(diethoxymethyl)-3,6-bis(ethoxymethyl)-5-methylpyrazine (PubChem CID 24865886) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-(diethoxymethyl)-3,6-bis(ethoxymethyl)-5-methylpyrazine.

Molecular Properties

Compound Name2-(diethoxymethyl)-3,6-bis(ethoxymethyl)-5-methylpyrazine
PubChem CID24865886
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name2-(diethoxymethyl)-3,6-bis(ethoxymethyl)-5-methylpyrazine
SMILESCCOCc1nc(C(OCC)OCC)c(COCC)nc1C
InChIInChI=1S/C16H28N2O4/c1-6-19-10-13-12(5)17-14(11-20-7-2)15(18-13)16(21-8-3)22-9-4/h16H,6-11H2,1-5H3
InChIKeyZFYZYXMYOAUBPS-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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Related Compounds

2-Methylacetate-3,5,6-trimethylpyrazine
CID 85138582
[5-(Acetyloxymethyl)-3,6-dimethylpyrazin-2-yl]methyl acetate
CID 53346217
2,3,5-Trimethyl-6-[(3,5,6-trimethylpyrazin-2-yl)methoxymethoxymethyl]pyrazine
CID 117879067
Chloromethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 122550017
2-(1,3-Dioxolan-2-yl)-3,5,6-trimethylpyrazine
CID 122684100
(3,5,6-Trimethylpyrazin-2-yl)methyl propanoate
CID 141222359
2,5-Bis(ethoxymethyl)-3,6-dimethylpyrazine
CID 141337777
3,3-Dimethylbutan-2-yl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 145154454
Ethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 145154455
2-(Bromomethyl)-5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazine
CID 145226180
2-(Methoxymethyl)-3,5,6-trimethylpyrazine
CID 145226187
Ethane;(3,5,6-trimethylpyrazin-2-yl)methyl acetate
CID 145330912

Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethyl)-3,6-bis(ethoxymethyl)-5-methylpyrazine?
The IUPAC name of 2-(diethoxymethyl)-3,6-bis(ethoxymethyl)-5-methylpyrazine (CID 24865886) is 2-(diethoxymethyl)-3,6-bis(ethoxymethyl)-5-methylpyrazine.
What is the SMILES notation for 2-(diethoxymethyl)-3,6-bis(ethoxymethyl)-5-methylpyrazine?
The canonical SMILES for 2-(diethoxymethyl)-3,6-bis(ethoxymethyl)-5-methylpyrazine is CCOCc1nc(C(OCC)OCC)c(COCC)nc1C.
What is the InChIKey of 2-(diethoxymethyl)-3,6-bis(ethoxymethyl)-5-methylpyrazine?
The InChIKey is ZFYZYXMYOAUBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-6-19-10-13-12(5)17-14(11-20-7-2)15(18-13)16(21-8-3)22-9-4/h16H,6-11H2,1-5H3.
What are the key properties of 2-(diethoxymethyl)-3,6-bis(ethoxymethyl)-5-methylpyrazine?
2-(diethoxymethyl)-3,6-bis(ethoxymethyl)-5-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)-3,6-bis(ethoxymethyl)-5-methylpyrazine is sourced from PubChem (CID 24865886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).