5-ethoxy-1-(1-ethylimidazol-2-yl)pentan-2-ol

C12H22N2O2 — CID 105112379

IUPAC5-ethoxy-1-(1-ethylimidazol-2-yl)pentan-2-ol
SMILESCCOCCCC(O)Cc1nccn1CC
InChIInChI=1S/C12H22N2O2/c1-3-14-8-7-13-12(14)10-11(15)6-5-9-16-4-2/h7-8,11,15H,3-6,9-10H2,1-2H3
InChIKeyCYBLUOWRACSPMT-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.62
Rot. Bonds8

About 5-ethoxy-1-(1-ethylimidazol-2-yl)pentan-2-ol

5-ethoxy-1-(1-ethylimidazol-2-yl)pentan-2-ol (PubChem CID 105112379) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-ethoxy-1-(1-ethylimidazol-2-yl)pentan-2-ol.

Molecular Properties

Compound Name5-ethoxy-1-(1-ethylimidazol-2-yl)pentan-2-ol
PubChem CID105112379
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name5-ethoxy-1-(1-ethylimidazol-2-yl)pentan-2-ol
SMILESCCOCCCC(O)Cc1nccn1CC
InChIInChI=1S/C12H22N2O2/c1-3-14-8-7-13-12(14)10-11(15)6-5-9-16-4-2/h7-8,11,15H,3-6,9-10H2,1-2H3
InChIKeyCYBLUOWRACSPMT-UHFFFAOYSA-N
XLogP1.62
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethoxy-1-(1-methylimidazol-2-yl)pentan-2-ol
CID 105113599
3-ethoxy-1-(1-ethylimidazol-2-yl)propan-1-ol
CID 105099040
3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784365
5-ethoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
CID 105107928
1-(1-ethylimidazol-2-yl)-3-methylpentan-2-ol
CID 79744876
1-(3,5-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 79753096
ethyl 2-[(1-ethylimidazol-2-yl)methyl]pentanoate
CID 83043651
1-(1-ethylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol
CID 105112400
1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 105112243
3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid
CID 79744530
N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine
CID 79751583
4-ethoxy-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105167779

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-(1-ethylimidazol-2-yl)pentan-2-ol?
The IUPAC name of 5-ethoxy-1-(1-ethylimidazol-2-yl)pentan-2-ol (CID 105112379) is 5-ethoxy-1-(1-ethylimidazol-2-yl)pentan-2-ol.
What is the SMILES notation for 5-ethoxy-1-(1-ethylimidazol-2-yl)pentan-2-ol?
The canonical SMILES for 5-ethoxy-1-(1-ethylimidazol-2-yl)pentan-2-ol is CCOCCCC(O)Cc1nccn1CC.
What is the InChIKey of 5-ethoxy-1-(1-ethylimidazol-2-yl)pentan-2-ol?
The InChIKey is CYBLUOWRACSPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-14-8-7-13-12(14)10-11(15)6-5-9-16-4-2/h7-8,11,15H,3-6,9-10H2,1-2H3.
What are the key properties of 5-ethoxy-1-(1-ethylimidazol-2-yl)pentan-2-ol?
5-ethoxy-1-(1-ethylimidazol-2-yl)pentan-2-ol has a molecular weight of 226.32 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-(1-ethylimidazol-2-yl)pentan-2-ol is sourced from PubChem (CID 105112379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).