2-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-1-ol

C12H22N2O2 — CID 116712316

IUPAC2-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-1-ol
SMILESCCOC(C(C)C)C(O)c1nccn1CC
InChIInChI=1S/C12H22N2O2/c1-5-14-8-7-13-12(14)10(15)11(9(3)4)16-6-2/h7-11,15H,5-6H2,1-4H3
InChIKeyRJJYEVMYKXCDTO-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.00
Rot. Bonds6

About 2-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-1-ol

2-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-1-ol (PubChem CID 116712316) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-1-ol
PubChem CID116712316
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-1-ol
SMILESCCOC(C(C)C)C(O)c1nccn1CC
InChIInChI=1S/C12H22N2O2/c1-5-14-8-7-13-12(14)10(15)11(9(3)4)16-6-2/h7-11,15H,5-6H2,1-4H3
InChIKeyRJJYEVMYKXCDTO-UHFFFAOYSA-N
XLogP2.00
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylimidazol-2-yl)-2-methoxypropan-1-ol
CID 79616649
2-ethoxy-1-(1-ethylimidazol-2-yl)-2-phenylethanol
CID 116757187
1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol
CID 103457324
3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol
CID 116712374
[3-ethoxy-1-(1-ethylimidazol-2-yl)-4-methylpentan-2-yl]hydrazine
CID 105272596
1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol
CID 103456993
3-(1-ethylimidazol-2-yl)-2,3-dihydroxypropanamide
CID 171869595
[2-ethoxy-1-(1-ethylimidazol-2-yl)propyl]hydrazine
CID 105222708
2-ethoxy-N-ethyl-1-(1-ethylimidazol-2-yl)propan-1-amine
CID 64533396
2,2-diethoxy-1-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 79495582
3-ethoxy-1-(1-ethylimidazol-2-yl)propan-1-ol
CID 105099040
2-(1-bromoethyl)-1-ethylimidazole
CID 71635251

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-1-ol?
The IUPAC name of 2-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-1-ol (CID 116712316) is 2-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-1-ol?
The canonical SMILES for 2-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-1-ol is CCOC(C(C)C)C(O)c1nccn1CC.
What is the InChIKey of 2-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-1-ol?
The InChIKey is RJJYEVMYKXCDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-14-8-7-13-12(14)10(15)11(9(3)4)16-6-2/h7-11,15H,5-6H2,1-4H3.
What are the key properties of 2-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-1-ol?
2-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-1-ol has a molecular weight of 226.32 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 116712316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).