2-(ethoxymethoxymethyl)-3,6-diethyl-5-(oxiran-2-ylmethoxymethyl)pyrazine

C16H26N2O4 — CID 170966141

IUPAC2-(ethoxymethoxymethyl)-3,6-diethyl-5-(oxiran-2-ylmethoxymethyl)pyrazine
SMILESCCOCOCc1nc(CC)c(COCC2CO2)nc1CC
InChIInChI=1S/C16H26N2O4/c1-4-13-15(9-20-7-12-8-22-12)17-14(5-2)16(18-13)10-21-11-19-6-3/h12H,4-11H2,1-3H3
InChIKeyQATVRBLWAOYULL-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.03
Rot. Bonds11

About 2-(ethoxymethoxymethyl)-3,6-diethyl-5-(oxiran-2-ylmethoxymethyl)pyrazine

2-(ethoxymethoxymethyl)-3,6-diethyl-5-(oxiran-2-ylmethoxymethyl)pyrazine (PubChem CID 170966141) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-(ethoxymethoxymethyl)-3,6-diethyl-5-(oxiran-2-ylmethoxymethyl)pyrazine.

Molecular Properties

Compound Name2-(ethoxymethoxymethyl)-3,6-diethyl-5-(oxiran-2-ylmethoxymethyl)pyrazine
PubChem CID170966141
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name2-(ethoxymethoxymethyl)-3,6-diethyl-5-(oxiran-2-ylmethoxymethyl)pyrazine
SMILESCCOCOCc1nc(CC)c(COCC2CO2)nc1CC
InChIInChI=1S/C16H26N2O4/c1-4-13-15(9-20-7-12-8-22-12)17-14(5-2)16(18-13)10-21-11-19-6-3/h12H,4-11H2,1-3H3
InChIKeyQATVRBLWAOYULL-UHFFFAOYSA-N
XLogP2.03
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis[(2R)-1,4-dioxan-2-yl]-3,6-dimethylpyrazine
CID 135029947
2-(1,3-Dioxolan-2-yl)-5-ethyl-3,6-dimethylpyrazine
CID 134502801
2,5-Bis(1,4-dioxan-2-yl)-3,6-dimethylpyrazine
CID 156770958
2,5-Bis(oxiran-2-ylmethoxymethyl)-3,6-dipropylpyrazine
CID 170966112
2,5-Dimethyl-3,6-bis[1-(oxiran-2-ylmethoxy)ethyl]pyrazine
CID 170966144
2,5-Diethyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine
CID 170966160
2,5-Dibutyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine
CID 170966163
2,5-Dibutyl-3-(ethoxymethyl)-6-(oxiran-2-ylmethoxymethyl)pyrazine
CID 170966166

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethoxymethyl)-3,6-diethyl-5-(oxiran-2-ylmethoxymethyl)pyrazine?
The IUPAC name of 2-(ethoxymethoxymethyl)-3,6-diethyl-5-(oxiran-2-ylmethoxymethyl)pyrazine (CID 170966141) is 2-(ethoxymethoxymethyl)-3,6-diethyl-5-(oxiran-2-ylmethoxymethyl)pyrazine.
What is the SMILES notation for 2-(ethoxymethoxymethyl)-3,6-diethyl-5-(oxiran-2-ylmethoxymethyl)pyrazine?
The canonical SMILES for 2-(ethoxymethoxymethyl)-3,6-diethyl-5-(oxiran-2-ylmethoxymethyl)pyrazine is CCOCOCc1nc(CC)c(COCC2CO2)nc1CC.
What is the InChIKey of 2-(ethoxymethoxymethyl)-3,6-diethyl-5-(oxiran-2-ylmethoxymethyl)pyrazine?
The InChIKey is QATVRBLWAOYULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-4-13-15(9-20-7-12-8-22-12)17-14(5-2)16(18-13)10-21-11-19-6-3/h12H,4-11H2,1-3H3.
What are the key properties of 2-(ethoxymethoxymethyl)-3,6-diethyl-5-(oxiran-2-ylmethoxymethyl)pyrazine?
2-(ethoxymethoxymethyl)-3,6-diethyl-5-(oxiran-2-ylmethoxymethyl)pyrazine has a molecular weight of 310.39 g/mol, XLogP of 2.03, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethoxymethyl)-3,6-diethyl-5-(oxiran-2-ylmethoxymethyl)pyrazine is sourced from PubChem (CID 170966141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).