2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-icosoxyacetic acid

C30H60O7 — CID 122612089

IUPAC2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-icosoxyacetic acid
SMILESCCCCCCCCCCCCCCCCCCCCOC(OCCOCCOCCOCC)C(=O)O
InChIInChI=1S/C30H60O7/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-36-30(29(31)32)37-28-27-35-26-25-34-24-23-33-4-2/h30H,3-28H2,1-2H3,(H,31,32)
InChIKeyUJFUNRLCEFOTFT-UHFFFAOYSA-N
MW532.80 g/mol
LogP7.54
Rot. Bonds32

About 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-icosoxyacetic acid

2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-icosoxyacetic acid (PubChem CID 122612089) has the molecular formula C30H60O7 and a molecular weight of 532.80 g/mol. Its IUPAC name is 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-icosoxyacetic acid.

Molecular Properties

Compound Name2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-icosoxyacetic acid
PubChem CID122612089
Molecular FormulaC30H60O7
Molecular Weight532.80 g/mol
Exact Mass532.43
IUPAC Name2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-icosoxyacetic acid
SMILESCCCCCCCCCCCCCCCCCCCCOC(OCCOCCOCCOCC)C(=O)O
InChIInChI=1S/C30H60O7/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-36-30(29(31)32)37-28-27-35-26-25-34-24-23-33-4-2/h30H,3-28H2,1-2H3,(H,31,32)
InChIKeyUJFUNRLCEFOTFT-UHFFFAOYSA-N
XLogP7.54
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds32
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.80
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-icosoxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethoxyethoxy)-2-pentadecoxyacetic acid
CID 122611141
2-ethoxy-2-undecoxyacetic acid
CID 122610994
2-ethoxy-2-octoxyacetic acid
CID 122612440
2-[2-(2-dodecoxyethoxy)ethoxymethyl]propanedioic acid
CID 174568583
2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane
CID 174802601
1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol
CID 90068149
(2S)-2-heptoxypropanoic acid
CID 22301798
2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172850156
1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tridecan-1-ol
CID 175685028
2-(3-nonoxypropoxy)hexanoic acid
CID 175887191
1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]octane
CID 175685781
1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]undecane
CID 175685461

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-icosoxyacetic acid?
The IUPAC name of 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-icosoxyacetic acid (CID 122612089) is 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-icosoxyacetic acid.
What is the SMILES notation for 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-icosoxyacetic acid?
The canonical SMILES for 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-icosoxyacetic acid is CCCCCCCCCCCCCCCCCCCCOC(OCCOCCOCCOCC)C(=O)O.
What is the InChIKey of 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-icosoxyacetic acid?
The InChIKey is UJFUNRLCEFOTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60O7/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-36-30(29(31)32)37-28-27-35-26-25-34-24-23-33-4-2/h30H,3-28H2,1-2H3,(H,31,32).
What are the key properties of 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-icosoxyacetic acid?
2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-icosoxyacetic acid has a molecular weight of 532.80 g/mol, XLogP of 7.54, 32 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-icosoxyacetic acid is sourced from PubChem (CID 122612089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).