2-ethoxy-2-undecoxyacetic acid

C15H30O4 — CID 122610994

IUPAC2-ethoxy-2-undecoxyacetic acid
SMILESCCCCCCCCCCCOC(OCC)C(=O)O
InChIInChI=1S/C15H30O4/c1-3-5-6-7-8-9-10-11-12-13-19-15(14(16)17)18-4-2/h15H,3-13H2,1-2H3,(H,16,17)
InChIKeySJJRYVOWPSMSPD-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.98
Rot. Bonds14

About 2-ethoxy-2-undecoxyacetic acid

2-ethoxy-2-undecoxyacetic acid (PubChem CID 122610994) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-ethoxy-2-undecoxyacetic acid.

Molecular Properties

Compound Name2-ethoxy-2-undecoxyacetic acid
PubChem CID122610994
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name2-ethoxy-2-undecoxyacetic acid
SMILESCCCCCCCCCCCOC(OCC)C(=O)O
InChIInChI=1S/C15H30O4/c1-3-5-6-7-8-9-10-11-12-13-19-15(14(16)17)18-4-2/h15H,3-13H2,1-2H3,(H,16,17)
InChIKeySJJRYVOWPSMSPD-UHFFFAOYSA-N
XLogP3.98
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-2-octoxyacetic acid
CID 122612440
2-(2-ethoxyethoxy)-2-pentadecoxyacetic acid
CID 122611141
2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-icosoxyacetic acid
CID 122612089
(2S)-2-heptoxypropanoic acid
CID 22301798
3,3-dihexadecoxypropanoic acid
CID 88656990
2-decoxydecanoic acid
CID 152638766
2-hexoxy-2-(3-oxopent-1-en-2-ylamino)oxyacetic acid
CID 123594642
2-nonadecoxybutanedioic acid
CID 122611322
2-dodecan-3-yloxy-2-(3-hydroxypropoxy)acetic acid
CID 57131175
2-ethoxyicosanoic acid
CID 86106777
ethyl 2-nonoxypropanoate
CID 88680880
3,3,3-trifluoro-2-hexoxypropanoic acid
CID 22913377

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-undecoxyacetic acid?
The IUPAC name of 2-ethoxy-2-undecoxyacetic acid (CID 122610994) is 2-ethoxy-2-undecoxyacetic acid.
What is the SMILES notation for 2-ethoxy-2-undecoxyacetic acid?
The canonical SMILES for 2-ethoxy-2-undecoxyacetic acid is CCCCCCCCCCCOC(OCC)C(=O)O.
What is the InChIKey of 2-ethoxy-2-undecoxyacetic acid?
The InChIKey is SJJRYVOWPSMSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4/c1-3-5-6-7-8-9-10-11-12-13-19-15(14(16)17)18-4-2/h15H,3-13H2,1-2H3,(H,16,17).
What are the key properties of 2-ethoxy-2-undecoxyacetic acid?
2-ethoxy-2-undecoxyacetic acid has a molecular weight of 274.40 g/mol, XLogP of 3.98, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-undecoxyacetic acid is sourced from PubChem (CID 122610994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).