3-ethoxy-3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-ol

C13H24N2O2 — CID 116752394

IUPAC3-ethoxy-3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-ol
SMILESCCOC(CC)(CC)C(O)Cc1nccn1C
InChIInChI=1S/C13H24N2O2/c1-5-13(6-2,17-7-3)11(16)10-12-14-8-9-15(12)4/h8-9,11,16H,5-7,10H2,1-4H3
InChIKeyBEOSLFYDWJFJHI-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.92
Rot. Bonds7

About 3-ethoxy-3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-ol

3-ethoxy-3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-ol (PubChem CID 116752394) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-ethoxy-3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-ol.

Molecular Properties

Compound Name3-ethoxy-3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-ol
PubChem CID116752394
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-ethoxy-3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-ol
SMILESCCOC(CC)(CC)C(O)Cc1nccn1C
InChIInChI=1S/C13H24N2O2/c1-5-13(6-2,17-7-3)11(16)10-12-14-8-9-15(12)4/h8-9,11,16H,5-7,10H2,1-4H3
InChIKeyBEOSLFYDWJFJHI-UHFFFAOYSA-N
XLogP1.92
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79753127
3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine
CID 116760949
3-methyl-1-(1-methylimidazol-2-yl)-3-methylsulfonylbutan-2-ol
CID 115820431
(3E)-3-(ethoxymethylidene)-1-(1-methylimidazol-2-yl)pentan-2-ol
CID 14269784
3-methyl-1-(1-methylimidazol-2-yl)-3-phenylbutan-2-ol
CID 79751999
3-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-ol
CID 116711834
ethyl 2-amino-3-(1-methylimidazol-2-yl)propanoate
CID 62961673
3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 116759914
5-ethoxy-1-(1-methylimidazol-2-yl)pentan-2-ol
CID 105113599
ethyl 2-fluoro-3-(1-methylimidazol-2-yl)propanoate
CID 79738546
2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium
CID 174757497
3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 116758319

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-ol?
The IUPAC name of 3-ethoxy-3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-ol (CID 116752394) is 3-ethoxy-3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-ol.
What is the SMILES notation for 3-ethoxy-3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-ol?
The canonical SMILES for 3-ethoxy-3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-ol is CCOC(CC)(CC)C(O)Cc1nccn1C.
What is the InChIKey of 3-ethoxy-3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-ol?
The InChIKey is BEOSLFYDWJFJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-13(6-2,17-7-3)11(16)10-12-14-8-9-15(12)4/h8-9,11,16H,5-7,10H2,1-4H3.
What are the key properties of 3-ethoxy-3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-ol?
3-ethoxy-3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-ol has a molecular weight of 240.35 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-ol is sourced from PubChem (CID 116752394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).