3-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

C14H26O9 — CID 18374596

IUPAC3-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
SMILESO=C(O)CCOCCOCCOCCOCCOCCC(=O)O
InChIInChI=1S/C14H26O9/c15-13(16)1-3-19-5-7-21-9-11-23-12-10-22-8-6-20-4-2-14(17)18/h1-12H2,(H,15,16)(H,17,18)
InChIKeyVRTJBJNTMHDBAI-UHFFFAOYSA-N
MW338.35 g/mol
LogP0.02
Rot. Bonds18

About 3-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

3-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (PubChem CID 18374596) has the molecular formula C14H26O9 and a molecular weight of 338.35 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
PubChem CID18374596
Molecular FormulaC14H26O9
Molecular Weight338.35 g/mol
Exact Mass338.16
IUPAC Name3-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
SMILESO=C(O)CCOCCOCCOCCOCCOCCC(=O)O
InChIInChI=1S/C14H26O9/c15-13(16)1-3-19-5-7-21-9-11-23-12-10-22-8-6-20-4-2-14(17)18/h1-12H2,(H,15,16)(H,17,18)
InChIKeyVRTJBJNTMHDBAI-UHFFFAOYSA-N
XLogP0.02
TPSA120.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 3-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (CID 18374596) is 3-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is O=C(O)CCOCCOCCOCCOCCOCCC(=O)O.
What is the InChIKey of 3-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
The InChIKey is VRTJBJNTMHDBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O9/c15-13(16)1-3-19-5-7-21-9-11-23-12-10-22-8-6-20-4-2-14(17)18/h1-12H2,(H,15,16)(H,17,18).
What are the key properties of 3-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
3-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid has a molecular weight of 338.35 g/mol, XLogP of 0.02, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 18374596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).