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

C11H20N2O2 — CID 105113599

IUPAC5-ethoxy-1-(1-methylimidazol-2-yl)pentan-2-ol
SMILESCCOCCCC(O)Cc1nccn1C
InChIInChI=1S/C11H20N2O2/c1-3-15-8-4-5-10(14)9-11-12-6-7-13(11)2/h6-7,10,14H,3-5,8-9H2,1-2H3
InChIKeyBDOYFJDKDFMHNF-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.14
Rot. Bonds7

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

5-ethoxy-1-(1-methylimidazol-2-yl)pentan-2-ol (PubChem CID 105113599) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-ethoxy-1-(1-methylimidazol-2-yl)pentan-2-ol.

Molecular Properties

Compound Name5-ethoxy-1-(1-methylimidazol-2-yl)pentan-2-ol
PubChem CID105113599
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name5-ethoxy-1-(1-methylimidazol-2-yl)pentan-2-ol
SMILESCCOCCCC(O)Cc1nccn1C
InChIInChI=1S/C11H20N2O2/c1-3-15-8-4-5-10(14)9-11-12-6-7-13(11)2/h6-7,10,14H,3-5,8-9H2,1-2H3
InChIKeyBDOYFJDKDFMHNF-UHFFFAOYSA-N
XLogP1.14
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.14
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-ethylimidazol-2-yl)pentan-2-ol
CID 105112379
5-ethoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
CID 105107928
1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79753127
7-(1-methylimidazol-2-yl)heptan-3-ol
CID 114532166
1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761877
1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-ol
CID 105113589
8-(1-methylimidazol-2-yl)octan-4-ol
CID 114532164
1-cyclobutyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 103170139
5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol
CID 105082767
3-ethoxy-3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-ol
CID 116752394
1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-2-ol
CID 79752618
1-(cyclopropylamino)-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79761950

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-(1-methylimidazol-2-yl)pentan-2-ol?
The IUPAC name of 5-ethoxy-1-(1-methylimidazol-2-yl)pentan-2-ol (CID 105113599) is 5-ethoxy-1-(1-methylimidazol-2-yl)pentan-2-ol.
What is the SMILES notation for 5-ethoxy-1-(1-methylimidazol-2-yl)pentan-2-ol?
The canonical SMILES for 5-ethoxy-1-(1-methylimidazol-2-yl)pentan-2-ol is CCOCCCC(O)Cc1nccn1C.
What is the InChIKey of 5-ethoxy-1-(1-methylimidazol-2-yl)pentan-2-ol?
The InChIKey is BDOYFJDKDFMHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-15-8-4-5-10(14)9-11-12-6-7-13(11)2/h6-7,10,14H,3-5,8-9H2,1-2H3.
What are the key properties of 5-ethoxy-1-(1-methylimidazol-2-yl)pentan-2-ol?
5-ethoxy-1-(1-methylimidazol-2-yl)pentan-2-ol has a molecular weight of 212.29 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-(1-methylimidazol-2-yl)pentan-2-ol is sourced from PubChem (CID 105113599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).