2,6-bis(diethoxymethyl)-3,5-dimethylpyrazine

C16H28N2O4 — CID 24865885

IUPAC2,6-bis(diethoxymethyl)-3,5-dimethylpyrazine
SMILESCCOC(OCC)c1nc(C(OCC)OCC)c(C)nc1C
InChIInChI=1S/C16H28N2O4/c1-7-19-15(20-8-2)13-11(5)17-12(6)14(18-13)16(21-9-3)22-10-4/h15-16H,7-10H2,1-6H3
InChIKeyILFHQFKODMQLBJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.24
Rot. Bonds10

About 2,6-bis(diethoxymethyl)-3,5-dimethylpyrazine

2,6-bis(diethoxymethyl)-3,5-dimethylpyrazine (PubChem CID 24865885) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2,6-bis(diethoxymethyl)-3,5-dimethylpyrazine.

Molecular Properties

Compound Name2,6-bis(diethoxymethyl)-3,5-dimethylpyrazine
PubChem CID24865885
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name2,6-bis(diethoxymethyl)-3,5-dimethylpyrazine
SMILESCCOC(OCC)c1nc(C(OCC)OCC)c(C)nc1C
InChIInChI=1S/C16H28N2O4/c1-7-19-15(20-8-2)13-11(5)17-12(6)14(18-13)16(21-9-3)22-10-4/h15-16H,7-10H2,1-6H3
InChIKeyILFHQFKODMQLBJ-UHFFFAOYSA-N
XLogP3.24
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.24
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
1-Chloroethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 122550013
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
(3,5,6-Trimethylpyrazin-2-yl)methyl butanoate
CID 141222364
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

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(diethoxymethyl)-3,5-dimethylpyrazine?
The IUPAC name of 2,6-bis(diethoxymethyl)-3,5-dimethylpyrazine (CID 24865885) is 2,6-bis(diethoxymethyl)-3,5-dimethylpyrazine.
What is the SMILES notation for 2,6-bis(diethoxymethyl)-3,5-dimethylpyrazine?
The canonical SMILES for 2,6-bis(diethoxymethyl)-3,5-dimethylpyrazine is CCOC(OCC)c1nc(C(OCC)OCC)c(C)nc1C.
What is the InChIKey of 2,6-bis(diethoxymethyl)-3,5-dimethylpyrazine?
The InChIKey is ILFHQFKODMQLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-7-19-15(20-8-2)13-11(5)17-12(6)14(18-13)16(21-9-3)22-10-4/h15-16H,7-10H2,1-6H3.
What are the key properties of 2,6-bis(diethoxymethyl)-3,5-dimethylpyrazine?
2,6-bis(diethoxymethyl)-3,5-dimethylpyrazine has a molecular weight of 312.41 g/mol, XLogP of 3.24, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(diethoxymethyl)-3,5-dimethylpyrazine is sourced from PubChem (CID 24865885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).