4-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethoxy]butan-2-one

C14H25N3O4 — CID 167077241

IUPAC4-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethoxy]butan-2-one
SMILESCCc1cn(CCOCCOCCOCCC(C)=O)nn1
InChIInChI=1S/C14H25N3O4/c1-3-14-12-17(16-15-14)5-7-20-9-11-21-10-8-19-6-4-13(2)18/h12H,3-11H2,1-2H3
InChIKeyCZJYAEKEECBSNK-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.87
Rot. Bonds13

About 4-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethoxy]butan-2-one

4-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethoxy]butan-2-one (PubChem CID 167077241) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethoxy]butan-2-one.

Molecular Properties

Compound Name4-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethoxy]butan-2-one
PubChem CID167077241
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name4-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethoxy]butan-2-one
SMILESCCc1cn(CCOCCOCCOCCC(C)=O)nn1
InChIInChI=1S/C14H25N3O4/c1-3-14-12-17(16-15-14)5-7-20-9-11-21-10-8-19-6-4-13(2)18/h12H,3-11H2,1-2H3
InChIKeyCZJYAEKEECBSNK-UHFFFAOYSA-N
XLogP0.87
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethyl]acetamide
CID 156664422
4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(1-pentyltriazol-4-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 138737681
4-[2-[2-[2-[2-[2-[2-[2-[[1-(5-methylhexyl)triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 138710009
2-methyl-7-[4-[2-[2-(3-oxobutoxy)ethoxy]ethoxymethyl]triazol-1-yl]heptan-3-one
CID 138632876
3-[1-(2-propoxyethyl)triazol-4-yl]propanoic acid
CID 107461014
3-[2-[2-[2-[2-[4-[[bis[[1-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 102195597
4-methyl-1-[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]pentan-3-one
CID 167447960
[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 63684971
4-[1-(3-oxobutyl)triazol-4-yl]butan-2-one
CID 58003253
N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide
CID 118975386
1-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethoxy]-4-methylpentan-3-one
CID 171574479
5-[1-(2-ethoxyethyl)triazol-4-yl]pentanoic acid
CID 104538690

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethoxy]butan-2-one?
The IUPAC name of 4-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethoxy]butan-2-one (CID 167077241) is 4-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethoxy]butan-2-one.
What is the SMILES notation for 4-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethoxy]butan-2-one?
The canonical SMILES for 4-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethoxy]butan-2-one is CCc1cn(CCOCCOCCOCCC(C)=O)nn1.
What is the InChIKey of 4-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethoxy]butan-2-one?
The InChIKey is CZJYAEKEECBSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-3-14-12-17(16-15-14)5-7-20-9-11-21-10-8-19-6-4-13(2)18/h12H,3-11H2,1-2H3.
What are the key properties of 4-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethoxy]butan-2-one?
4-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethoxy]butan-2-one has a molecular weight of 299.37 g/mol, XLogP of 0.87, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethoxy]butan-2-one is sourced from PubChem (CID 167077241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).