2,5-bis(oxiran-2-ylmethoxymethyl)-3,6-dipropylpyrazine

C18H28N2O4 — CID 170966112

IUPAC2,5-bis(oxiran-2-ylmethoxymethyl)-3,6-dipropylpyrazine
SMILESCCCc1nc(COCC2CO2)c(CCC)nc1COCC1CO1
InChIInChI=1S/C18H28N2O4/c1-3-5-15-17(11-21-7-13-9-23-13)20-16(6-4-2)18(19-15)12-22-8-14-10-24-14/h13-14H,3-12H2,1-2H3
InChIKeyATCMSZBEPQODKJ-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.21
Rot. Bonds12

About 2,5-bis(oxiran-2-ylmethoxymethyl)-3,6-dipropylpyrazine

2,5-bis(oxiran-2-ylmethoxymethyl)-3,6-dipropylpyrazine (PubChem CID 170966112) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2,5-bis(oxiran-2-ylmethoxymethyl)-3,6-dipropylpyrazine.

Molecular Properties

Compound Name2,5-bis(oxiran-2-ylmethoxymethyl)-3,6-dipropylpyrazine
PubChem CID170966112
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name2,5-bis(oxiran-2-ylmethoxymethyl)-3,6-dipropylpyrazine
SMILESCCCc1nc(COCC2CO2)c(CCC)nc1COCC1CO1
InChIInChI=1S/C18H28N2O4/c1-3-5-15-17(11-21-7-13-9-23-13)20-16(6-4-2)18(19-15)12-22-8-14-10-24-14/h13-14H,3-12H2,1-2H3
InChIKeyATCMSZBEPQODKJ-UHFFFAOYSA-N
XLogP2.21
TPSA69.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(oxiran-2-ylmethoxymethyl)-3,6-dipropylpyrazine?
The IUPAC name of 2,5-bis(oxiran-2-ylmethoxymethyl)-3,6-dipropylpyrazine (CID 170966112) is 2,5-bis(oxiran-2-ylmethoxymethyl)-3,6-dipropylpyrazine.
What is the SMILES notation for 2,5-bis(oxiran-2-ylmethoxymethyl)-3,6-dipropylpyrazine?
The canonical SMILES for 2,5-bis(oxiran-2-ylmethoxymethyl)-3,6-dipropylpyrazine is CCCc1nc(COCC2CO2)c(CCC)nc1COCC1CO1.
What is the InChIKey of 2,5-bis(oxiran-2-ylmethoxymethyl)-3,6-dipropylpyrazine?
The InChIKey is ATCMSZBEPQODKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-3-5-15-17(11-21-7-13-9-23-13)20-16(6-4-2)18(19-15)12-22-8-14-10-24-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 2,5-bis(oxiran-2-ylmethoxymethyl)-3,6-dipropylpyrazine?
2,5-bis(oxiran-2-ylmethoxymethyl)-3,6-dipropylpyrazine has a molecular weight of 336.43 g/mol, XLogP of 2.21, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(oxiran-2-ylmethoxymethyl)-3,6-dipropylpyrazine is sourced from PubChem (CID 170966112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).