2-ethyl-4-[(1-ethylimidazol-2-yl)methyl]oxan-4-ol

C13H22N2O2 — CID 79744060

IUPAC2-ethyl-4-[(1-ethylimidazol-2-yl)methyl]oxan-4-ol
SMILESCCC1CC(O)(Cc2nccn2CC)CCO1
InChIInChI=1S/C13H22N2O2/c1-3-11-9-13(16,5-8-17-11)10-12-14-6-7-15(12)4-2/h6-7,11,16H,3-5,8-10H2,1-2H3
InChIKeyKHRBRWVRGHNGCG-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.77
Rot. Bonds4

About 2-ethyl-4-[(1-ethylimidazol-2-yl)methyl]oxan-4-ol

2-ethyl-4-[(1-ethylimidazol-2-yl)methyl]oxan-4-ol (PubChem CID 79744060) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-ethyl-4-[(1-ethylimidazol-2-yl)methyl]oxan-4-ol.

Molecular Properties

Compound Name2-ethyl-4-[(1-ethylimidazol-2-yl)methyl]oxan-4-ol
PubChem CID79744060
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-ethyl-4-[(1-ethylimidazol-2-yl)methyl]oxan-4-ol
SMILESCCC1CC(O)(Cc2nccn2CC)CCO1
InChIInChI=1S/C13H22N2O2/c1-3-11-9-13(16,5-8-17-11)10-12-14-6-7-15(12)4-2/h6-7,11,16H,3-5,8-10H2,1-2H3
InChIKeyKHRBRWVRGHNGCG-UHFFFAOYSA-N
XLogP1.77
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744578
1-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429783
1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol
CID 79744305
1-[(1-ethylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79744950
3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol
CID 79744249
2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol
CID 79743877
4-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxan-4-ol
CID 79744326
4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine
CID 79743997
3-[[(1-ethylimidazol-2-yl)methylamino]methyl]oxolan-3-ol
CID 103848413
1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744670
3-[(1-ethylimidazol-2-yl)methyl]-3-methylcyclopentan-1-one
CID 116538582
1-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol
CID 79743744

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(1-ethylimidazol-2-yl)methyl]oxan-4-ol?
The IUPAC name of 2-ethyl-4-[(1-ethylimidazol-2-yl)methyl]oxan-4-ol (CID 79744060) is 2-ethyl-4-[(1-ethylimidazol-2-yl)methyl]oxan-4-ol.
What is the SMILES notation for 2-ethyl-4-[(1-ethylimidazol-2-yl)methyl]oxan-4-ol?
The canonical SMILES for 2-ethyl-4-[(1-ethylimidazol-2-yl)methyl]oxan-4-ol is CCC1CC(O)(Cc2nccn2CC)CCO1.
What is the InChIKey of 2-ethyl-4-[(1-ethylimidazol-2-yl)methyl]oxan-4-ol?
The InChIKey is KHRBRWVRGHNGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-11-9-13(16,5-8-17-11)10-12-14-6-7-15(12)4-2/h6-7,11,16H,3-5,8-10H2,1-2H3.
What are the key properties of 2-ethyl-4-[(1-ethylimidazol-2-yl)methyl]oxan-4-ol?
2-ethyl-4-[(1-ethylimidazol-2-yl)methyl]oxan-4-ol has a molecular weight of 238.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(1-ethylimidazol-2-yl)methyl]oxan-4-ol is sourced from PubChem (CID 79744060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).