2-[2-[2-(4-tert-butyltriazol-1-yl)ethoxy]ethoxy]ethanol;ethane

C14H29N3O3 — CID 171646885

IUPAC2-[2-[2-(4-tert-butyltriazol-1-yl)ethoxy]ethoxy]ethanol;ethane
SMILESCC.CC(C)(C)c1cn(CCOCCOCCO)nn1
InChIInChI=1S/C12H23N3O3.C2H6/c1-12(2,3)11-10-15(14-13-11)4-6-17-8-9-18-7-5-16;1-2/h10,16H,4-9H2,1-3H3;1-2H3
InChIKeyWSZHYNJSGDKTLJ-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.63
Rot. Bonds8

About 2-[2-[2-(4-tert-butyltriazol-1-yl)ethoxy]ethoxy]ethanol;ethane

2-[2-[2-(4-tert-butyltriazol-1-yl)ethoxy]ethoxy]ethanol;ethane (PubChem CID 171646885) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[2-[2-(4-tert-butyltriazol-1-yl)ethoxy]ethoxy]ethanol;ethane.

Molecular Properties

Compound Name2-[2-[2-(4-tert-butyltriazol-1-yl)ethoxy]ethoxy]ethanol;ethane
PubChem CID171646885
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name2-[2-[2-(4-tert-butyltriazol-1-yl)ethoxy]ethoxy]ethanol;ethane
SMILESCC.CC(C)(C)c1cn(CCOCCOCCO)nn1
InChIInChI=1S/C12H23N3O3.C2H6/c1-12(2,3)11-10-15(14-13-11)4-6-17-8-9-18-7-5-16;1-2/h10,16H,4-9H2,1-3H3;1-2H3
InChIKeyWSZHYNJSGDKTLJ-UHFFFAOYSA-N
XLogP1.63
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-tert-butyltriazol-1-yl)ethoxy]ethoxy]ethanol;ethane?
The IUPAC name of 2-[2-[2-(4-tert-butyltriazol-1-yl)ethoxy]ethoxy]ethanol;ethane (CID 171646885) is 2-[2-[2-(4-tert-butyltriazol-1-yl)ethoxy]ethoxy]ethanol;ethane.
What is the SMILES notation for 2-[2-[2-(4-tert-butyltriazol-1-yl)ethoxy]ethoxy]ethanol;ethane?
The canonical SMILES for 2-[2-[2-(4-tert-butyltriazol-1-yl)ethoxy]ethoxy]ethanol;ethane is CC.CC(C)(C)c1cn(CCOCCOCCO)nn1.
What is the InChIKey of 2-[2-[2-(4-tert-butyltriazol-1-yl)ethoxy]ethoxy]ethanol;ethane?
The InChIKey is WSZHYNJSGDKTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3.C2H6/c1-12(2,3)11-10-15(14-13-11)4-6-17-8-9-18-7-5-16;1-2/h10,16H,4-9H2,1-3H3;1-2H3.
What are the key properties of 2-[2-[2-(4-tert-butyltriazol-1-yl)ethoxy]ethoxy]ethanol;ethane?
2-[2-[2-(4-tert-butyltriazol-1-yl)ethoxy]ethoxy]ethanol;ethane has a molecular weight of 287.40 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-tert-butyltriazol-1-yl)ethoxy]ethoxy]ethanol;ethane is sourced from PubChem (CID 171646885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).