1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-propan-2-yloxyethoxymethyl)triazole

C17H33N3O4 — CID 171725793

IUPAC1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-propan-2-yloxyethoxymethyl)triazole
SMILESCC(C)CCOCCOCCn1cc(COCCOC(C)C)nn1
InChIInChI=1S/C17H33N3O4/c1-15(2)5-7-21-9-10-22-8-6-20-13-17(18-19-20)14-23-11-12-24-16(3)4/h13,15-16H,5-12,14H2,1-4H3
InChIKeyVTGQUZYGRUISEM-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.30
Rot. Bonds15

About 1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-propan-2-yloxyethoxymethyl)triazole

1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-propan-2-yloxyethoxymethyl)triazole (PubChem CID 171725793) has the molecular formula C17H33N3O4 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-propan-2-yloxyethoxymethyl)triazole.

Molecular Properties

Compound Name1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-propan-2-yloxyethoxymethyl)triazole
PubChem CID171725793
Molecular FormulaC17H33N3O4
Molecular Weight343.47 g/mol
Exact Mass343.25
IUPAC Name1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-propan-2-yloxyethoxymethyl)triazole
SMILESCC(C)CCOCCOCCn1cc(COCCOC(C)C)nn1
InChIInChI=1S/C17H33N3O4/c1-15(2)5-7-21-9-10-22-8-6-20-13-17(18-19-20)14-23-11-12-24-16(3)4/h13,15-16H,5-12,14H2,1-4H3
InChIKeyVTGQUZYGRUISEM-UHFFFAOYSA-N
XLogP2.30
TPSA67.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.30
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-(2-ethoxyethoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole
CID 144977277
4-(chloromethyl)-1-[2-(3-methylbutoxy)ethyl]triazole
CID 62400452
4-methyl-1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxymethyl]triazol-1-yl]pentan-3-one
CID 154684338
1-[[1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrole-2,5-dione
CID 138630631
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
1-(4-methylpentyl)-4-(2-propan-2-yloxyethyl)triazole
CID 155405262
4-(3-methylbutyl)-1-(5-propan-2-yloxypentyl)triazole
CID 171725797
1-[2-(3-methylbutoxy)ethoxymethyl]-4-(2-methylpropyl)triazole
CID 176586840
N,2-dimethyl-N-[[1-(2-propan-2-yloxyethyl)triazol-4-yl]methyl]propan-1-amine
CID 155599524
2-methyl-1-[3-[[1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]propan-1-one
CID 178080693
4-(3,3-dimethylbutyl)-1-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]triazole
CID 170092527
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1-[2-[2-[(Z)-prop-1-enyl]peroxyethoxy]ethyl]triazole
CID 58559424

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-propan-2-yloxyethoxymethyl)triazole?
The IUPAC name of 1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-propan-2-yloxyethoxymethyl)triazole (CID 171725793) is 1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-propan-2-yloxyethoxymethyl)triazole.
What is the SMILES notation for 1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-propan-2-yloxyethoxymethyl)triazole?
The canonical SMILES for 1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-propan-2-yloxyethoxymethyl)triazole is CC(C)CCOCCOCCn1cc(COCCOC(C)C)nn1.
What is the InChIKey of 1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-propan-2-yloxyethoxymethyl)triazole?
The InChIKey is VTGQUZYGRUISEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O4/c1-15(2)5-7-21-9-10-22-8-6-20-13-17(18-19-20)14-23-11-12-24-16(3)4/h13,15-16H,5-12,14H2,1-4H3.
What are the key properties of 1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-propan-2-yloxyethoxymethyl)triazole?
1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-propan-2-yloxyethoxymethyl)triazole has a molecular weight of 343.47 g/mol, XLogP of 2.30, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-propan-2-yloxyethoxymethyl)triazole is sourced from PubChem (CID 171725793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).