ethane;4-methyl-1-(oxolan-2-yl)-5-propan-2-ylimidazole

C13H24N2O — CID 176927418

IUPACethane;4-methyl-1-(oxolan-2-yl)-5-propan-2-ylimidazole
SMILESCC.Cc1ncn(C2CCCO2)c1C(C)C
InChIInChI=1S/C11H18N2O.C2H6/c1-8(2)11-9(3)12-7-13(11)10-5-4-6-14-10;1-2/h7-8,10H,4-6H2,1-3H3;1-2H3
InChIKeyAEPUMLUDNQHYEU-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.65
Rot. Bonds2

About ethane;4-methyl-1-(oxolan-2-yl)-5-propan-2-ylimidazole

ethane;4-methyl-1-(oxolan-2-yl)-5-propan-2-ylimidazole (PubChem CID 176927418) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is ethane;4-methyl-1-(oxolan-2-yl)-5-propan-2-ylimidazole.

Molecular Properties

Compound Nameethane;4-methyl-1-(oxolan-2-yl)-5-propan-2-ylimidazole
PubChem CID176927418
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Nameethane;4-methyl-1-(oxolan-2-yl)-5-propan-2-ylimidazole
SMILESCC.Cc1ncn(C2CCCO2)c1C(C)C
InChIInChI=1S/C11H18N2O.C2H6/c1-8(2)11-9(3)12-7-13(11)10-5-4-6-14-10;1-2/h7-8,10H,4-6H2,1-3H3;1-2H3
InChIKeyAEPUMLUDNQHYEU-UHFFFAOYSA-N
XLogP3.65
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-(oxolan-2-yl)-5-propan-2-ylimidazole?
The IUPAC name of ethane;4-methyl-1-(oxolan-2-yl)-5-propan-2-ylimidazole (CID 176927418) is ethane;4-methyl-1-(oxolan-2-yl)-5-propan-2-ylimidazole.
What is the SMILES notation for ethane;4-methyl-1-(oxolan-2-yl)-5-propan-2-ylimidazole?
The canonical SMILES for ethane;4-methyl-1-(oxolan-2-yl)-5-propan-2-ylimidazole is CC.Cc1ncn(C2CCCO2)c1C(C)C.
What is the InChIKey of ethane;4-methyl-1-(oxolan-2-yl)-5-propan-2-ylimidazole?
The InChIKey is AEPUMLUDNQHYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.C2H6/c1-8(2)11-9(3)12-7-13(11)10-5-4-6-14-10;1-2/h7-8,10H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;4-methyl-1-(oxolan-2-yl)-5-propan-2-ylimidazole?
ethane;4-methyl-1-(oxolan-2-yl)-5-propan-2-ylimidazole has a molecular weight of 224.35 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-(oxolan-2-yl)-5-propan-2-ylimidazole is sourced from PubChem (CID 176927418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).