2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

C14H21NO8 — CID 91667268

IUPAC2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
SMILESO=C(O)COCCOCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H21NO8/c16-12-1-2-13(17)15(12)3-4-20-5-6-21-7-8-22-9-10-23-11-14(18)19/h1-2H,3-11H2,(H,18,19)
InChIKeyIBIJGYJSVGSTQS-UHFFFAOYSA-N
MW331.32 g/mol
LogP-0.94
Rot. Bonds14

About 2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 91667268) has the molecular formula C14H21NO8 and a molecular weight of 331.32 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
PubChem CID91667268
Molecular FormulaC14H21NO8
Molecular Weight331.32 g/mol
Exact Mass331.13
IUPAC Name2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
SMILESO=C(O)COCCOCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H21NO8/c16-12-1-2-13(17)15(12)3-4-20-5-6-21-7-8-22-9-10-23-11-14(18)19/h1-2H,3-11H2,(H,18,19)
InChIKeyIBIJGYJSVGSTQS-UHFFFAOYSA-N
XLogP-0.94
TPSA111.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (CID 91667268) is 2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is O=C(O)COCCOCCOCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The InChIKey is IBIJGYJSVGSTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO8/c16-12-1-2-13(17)15(12)3-4-20-5-6-21-7-8-22-9-10-23-11-14(18)19/h1-2H,3-11H2,(H,18,19).
What are the key properties of 2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 331.32 g/mol, XLogP of -0.94, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 91667268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).