2-(2-octoxyethoxy)acetic acid

C12H24O4 — CID 4049161

IUPAC2-(2-octoxyethoxy)acetic acid
SMILESCCCCCCCCOCCOCC(=O)O
InChIInChI=1S/C12H24O4/c1-2-3-4-5-6-7-8-15-9-10-16-11-12(13)14/h2-11H2,1H3,(H,13,14)
InChIKeyICDFAVDDYZOXIU-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.46
Rot. Bonds12

About 2-(2-octoxyethoxy)acetic acid

2-(2-octoxyethoxy)acetic acid (PubChem CID 4049161) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(2-octoxyethoxy)acetic acid.

Molecular Properties

Compound Name2-(2-octoxyethoxy)acetic acid
PubChem CID4049161
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2-(2-octoxyethoxy)acetic acid
SMILESCCCCCCCCOCCOCC(=O)O
InChIInChI=1S/C12H24O4/c1-2-3-4-5-6-7-8-15-9-10-16-11-12(13)14/h2-11H2,1H3,(H,13,14)
InChIKeyICDFAVDDYZOXIU-UHFFFAOYSA-N
XLogP2.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-octoxyethoxy)acetic acid?
The IUPAC name of 2-(2-octoxyethoxy)acetic acid (CID 4049161) is 2-(2-octoxyethoxy)acetic acid.
What is the SMILES notation for 2-(2-octoxyethoxy)acetic acid?
The canonical SMILES for 2-(2-octoxyethoxy)acetic acid is CCCCCCCCOCCOCC(=O)O.
What is the InChIKey of 2-(2-octoxyethoxy)acetic acid?
The InChIKey is ICDFAVDDYZOXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-2-3-4-5-6-7-8-15-9-10-16-11-12(13)14/h2-11H2,1H3,(H,13,14).
What are the key properties of 2-(2-octoxyethoxy)acetic acid?
2-(2-octoxyethoxy)acetic acid has a molecular weight of 232.32 g/mol, XLogP of 2.46, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-octoxyethoxy)acetic acid is sourced from PubChem (CID 4049161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).