2-ethoxy-2-octoxyacetic acid

C12H24O4 — CID 122612440

IUPAC2-ethoxy-2-octoxyacetic acid
SMILESCCCCCCCCOC(OCC)C(=O)O
InChIInChI=1S/C12H24O4/c1-3-5-6-7-8-9-10-16-12(11(13)14)15-4-2/h12H,3-10H2,1-2H3,(H,13,14)
InChIKeySGTFRMMYCHDMIB-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.81
Rot. Bonds11

About 2-ethoxy-2-octoxyacetic acid

2-ethoxy-2-octoxyacetic acid (PubChem CID 122612440) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-ethoxy-2-octoxyacetic acid.

Molecular Properties

Compound Name2-ethoxy-2-octoxyacetic acid
PubChem CID122612440
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2-ethoxy-2-octoxyacetic acid
SMILESCCCCCCCCOC(OCC)C(=O)O
InChIInChI=1S/C12H24O4/c1-3-5-6-7-8-9-10-16-12(11(13)14)15-4-2/h12H,3-10H2,1-2H3,(H,13,14)
InChIKeySGTFRMMYCHDMIB-UHFFFAOYSA-N
XLogP2.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.81
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-undecoxyacetic acid
CID 122610994
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-octoxyacetic acid?
The IUPAC name of 2-ethoxy-2-octoxyacetic acid (CID 122612440) is 2-ethoxy-2-octoxyacetic acid.
What is the SMILES notation for 2-ethoxy-2-octoxyacetic acid?
The canonical SMILES for 2-ethoxy-2-octoxyacetic acid is CCCCCCCCOC(OCC)C(=O)O.
What is the InChIKey of 2-ethoxy-2-octoxyacetic acid?
The InChIKey is SGTFRMMYCHDMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-3-5-6-7-8-9-10-16-12(11(13)14)15-4-2/h12H,3-10H2,1-2H3,(H,13,14).
What are the key properties of 2-ethoxy-2-octoxyacetic acid?
2-ethoxy-2-octoxyacetic acid has a molecular weight of 232.32 g/mol, XLogP of 2.81, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-octoxyacetic acid is sourced from PubChem (CID 122612440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).