2-[2-[2-[2-[2-(2H-triazol-4-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

C13H23N3O7 — CID 176817064

IUPAC2-[2-[2-[2-[2-(2H-triazol-4-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
SMILESO=C(O)COCCOCCOCCOCCOCc1cn[nH]n1
InChIInChI=1S/C13H23N3O7/c17-13(18)11-23-8-6-21-4-2-19-1-3-20-5-7-22-10-12-9-14-16-15-12/h9H,1-8,10-11H2,(H,17,18)(H,14,15,16)
InChIKeyFTYBAJNRKPHFJZ-UHFFFAOYSA-N
MW333.34 g/mol
LogP-0.53
Rot. Bonds16

About 2-[2-[2-[2-[2-(2H-triazol-4-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

2-[2-[2-[2-[2-(2H-triazol-4-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 176817064) has the molecular formula C13H23N3O7 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2H-triazol-4-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(2H-triazol-4-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
PubChem CID176817064
Molecular FormulaC13H23N3O7
Molecular Weight333.34 g/mol
Exact Mass333.15
IUPAC Name2-[2-[2-[2-[2-(2H-triazol-4-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
SMILESO=C(O)COCCOCCOCCOCCOCc1cn[nH]n1
InChIInChI=1S/C13H23N3O7/c17-13(18)11-23-8-6-21-4-2-19-1-3-20-5-7-22-10-12-9-14-16-15-12/h9H,1-8,10-11H2,(H,17,18)(H,14,15,16)
InChIKeyFTYBAJNRKPHFJZ-UHFFFAOYSA-N
XLogP-0.53
TPSA125.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[2-[2-(2H-triazol-4-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[2-[2-(2H-triazol-4-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (CID 176817064) is 2-[2-[2-[2-[2-(2H-triazol-4-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-[2-(2H-triazol-4-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[2-[2-(2H-triazol-4-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is O=C(O)COCCOCCOCCOCCOCc1cn[nH]n1.
What is the InChIKey of 2-[2-[2-[2-[2-(2H-triazol-4-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The InChIKey is FTYBAJNRKPHFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O7/c17-13(18)11-23-8-6-21-4-2-19-1-3-20-5-7-22-10-12-9-14-16-15-12/h9H,1-8,10-11H2,(H,17,18)(H,14,15,16).
What are the key properties of 2-[2-[2-[2-[2-(2H-triazol-4-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
2-[2-[2-[2-[2-(2H-triazol-4-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 333.34 g/mol, XLogP of -0.53, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(2H-triazol-4-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 176817064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).