2-[2-[2-[2-[2-[(1-methyltriazol-4-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

C14H25N3O7 — CID 176816953

IUPAC2-[2-[2-[2-[2-[(1-methyltriazol-4-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
SMILESCn1cc(COCCOCCOCCOCCOCC(=O)O)nn1
InChIInChI=1S/C14H25N3O7/c1-17-10-13(15-16-17)11-23-8-6-21-4-2-20-3-5-22-7-9-24-12-14(18)19/h10H,2-9,11-12H2,1H3,(H,18,19)
InChIKeyYLPIOOWXRWZRFB-UHFFFAOYSA-N
MW347.37 g/mol
LogP-0.52
Rot. Bonds16

About 2-[2-[2-[2-[2-[(1-methyltriazol-4-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

2-[2-[2-[2-[2-[(1-methyltriazol-4-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 176816953) has the molecular formula C14H25N3O7 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[(1-methyltriazol-4-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[(1-methyltriazol-4-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
PubChem CID176816953
Molecular FormulaC14H25N3O7
Molecular Weight347.37 g/mol
Exact Mass347.17
IUPAC Name2-[2-[2-[2-[2-[(1-methyltriazol-4-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
SMILESCn1cc(COCCOCCOCCOCCOCC(=O)O)nn1
InChIInChI=1S/C14H25N3O7/c1-17-10-13(15-16-17)11-23-8-6-21-4-2-20-3-5-22-7-9-24-12-14(18)19/h10H,2-9,11-12H2,1H3,(H,18,19)
InChIKeyYLPIOOWXRWZRFB-UHFFFAOYSA-N
XLogP-0.52
TPSA114.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
S-methyl 2-[(1-methyltriazol-4-yl)methoxy]ethanethioate
CID 156527890
4-(2-(18F)fluoroethoxymethyl)-1-methyltriazole
CID 87414714
(1-methyltriazol-4-yl)methyl acetate
CID 89224817
(2S)-2-[(1-methyltriazol-4-yl)methoxy]propanoic acid
CID 107040987
3-(1-methyltriazol-4-yl)propanoic acid
CID 21284782
2-[2-[2-[2-[2-(2H-triazol-4-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 176817064
N-[2-[(1-methyltriazol-4-yl)methoxy]ethyl]propan-1-amine
CID 107044413
3-methyl-1-[2-[2-[2-[(1-octyltriazol-4-yl)methoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 178080688
2-[2-(2-methoxyethoxy)ethoxy]acetic acid;zinc
CID 87575071
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
(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid
CID 124681337

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[(1-methyltriazol-4-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[2-[2-[(1-methyltriazol-4-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (CID 176816953) is 2-[2-[2-[2-[2-[(1-methyltriazol-4-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-[2-[(1-methyltriazol-4-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[2-[2-[(1-methyltriazol-4-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is Cn1cc(COCCOCCOCCOCCOCC(=O)O)nn1.
What is the InChIKey of 2-[2-[2-[2-[2-[(1-methyltriazol-4-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The InChIKey is YLPIOOWXRWZRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O7/c1-17-10-13(15-16-17)11-23-8-6-21-4-2-20-3-5-22-7-9-24-12-14(18)19/h10H,2-9,11-12H2,1H3,(H,18,19).
What are the key properties of 2-[2-[2-[2-[2-[(1-methyltriazol-4-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
2-[2-[2-[2-[2-[(1-methyltriazol-4-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 347.37 g/mol, XLogP of -0.52, 16 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[(1-methyltriazol-4-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 176816953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).