1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole

C14H27N3O4 — CID 144977277

IUPAC1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole
SMILESCCOCCOCCOCCn1cc(COC(C)C)nn1
InChIInChI=1S/C14H27N3O4/c1-4-18-7-8-20-10-9-19-6-5-17-11-14(15-16-17)12-21-13(2)3/h11,13H,4-10,12H2,1-3H3
InChIKeyLHCVCPDLJWISHR-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.27
Rot. Bonds13

About 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole

1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole (PubChem CID 144977277) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole.

Molecular Properties

Compound Name1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole
PubChem CID144977277
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole
SMILESCCOCCOCCOCCn1cc(COC(C)C)nn1
InChIInChI=1S/C14H27N3O4/c1-4-18-7-8-20-10-9-19-6-5-17-11-14(15-16-17)12-21-13(2)3/h11,13H,4-10,12H2,1-3H3
InChIKeyLHCVCPDLJWISHR-UHFFFAOYSA-N
XLogP1.27
TPSA67.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.27
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

1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-propan-2-yloxyethoxymethyl)triazole
CID 171725793
1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole
CID 167478835
4-(2-methylpropyl)-1-(2-propoxyethyl)triazole
CID 118041077
4-methyl-1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxymethyl]triazol-1-yl]pentan-3-one
CID 154684338
[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 63684971
4-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)triazole
CID 62401226
1-ethyl-4-[3-(2-propan-2-yloxyethoxy)propyl]triazole
CID 155402046
4-[[1-(2-ethoxyethyl)triazol-4-yl]methoxy]-2,2-dimethylbutanoic acid
CID 163968135
2-amino-3-[1-(2-ethoxyethyl)triazol-4-yl]propanoic acid
CID 116735117
4-(chloromethyl)-1-[2-(3-methylbutoxy)ethyl]triazole
CID 62400452
4-(2,2-dimethylpropyl)-1-[2-(2-propoxyethoxy)ethyl]triazole
CID 158140724
ethane;2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 144977278

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole?
The IUPAC name of 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole (CID 144977277) is 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole.
What is the SMILES notation for 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole?
The canonical SMILES for 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole is CCOCCOCCOCCn1cc(COC(C)C)nn1.
What is the InChIKey of 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole?
The InChIKey is LHCVCPDLJWISHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-4-18-7-8-20-10-9-19-6-5-17-11-14(15-16-17)12-21-13(2)3/h11,13H,4-10,12H2,1-3H3.
What are the key properties of 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole?
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole has a molecular weight of 301.39 g/mol, XLogP of 1.27, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole is sourced from PubChem (CID 144977277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).