2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-hexyloctanoic acid

C20H38O7 — CID 18318687

IUPAC2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-hexyloctanoic acid
SMILESCCCCCCC(CCCCCC)(OCCOCCOCC(=O)O)C(=O)O
InChIInChI=1S/C20H38O7/c1-3-5-7-9-11-20(19(23)24,12-10-8-6-4-2)27-16-15-25-13-14-26-17-18(21)22/h3-17H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyFSRONMXPZAAULA-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.88
Rot. Bonds20

About 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-hexyloctanoic acid

2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-hexyloctanoic acid (PubChem CID 18318687) has the molecular formula C20H38O7 and a molecular weight of 390.52 g/mol. Its IUPAC name is 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-hexyloctanoic acid.

Molecular Properties

Compound Name2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-hexyloctanoic acid
PubChem CID18318687
Molecular FormulaC20H38O7
Molecular Weight390.52 g/mol
Exact Mass390.26
IUPAC Name2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-hexyloctanoic acid
SMILESCCCCCCC(CCCCCC)(OCCOCCOCC(=O)O)C(=O)O
InChIInChI=1S/C20H38O7/c1-3-5-7-9-11-20(19(23)24,12-10-8-6-4-2)27-16-15-25-13-14-26-17-18(21)22/h3-17H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyFSRONMXPZAAULA-UHFFFAOYSA-N
XLogP3.88
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-hexyloctanoic 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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101104501
2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 58975663
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716151
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716129
2-[2-[2-(carboxylatomethoxy)ethoxy]ethoxy]-2-octyldecanoate
CID 18318706
2-hexoxy-2-octylbutanedioic acid
CID 54422145
2-butoxy-2-ethyloctadecanoic acid
CID 87089567
2-nonadecoxyacetic acid
CID 91373626
2-octadecoxyacetic acid
CID 4147678
2-pentadecoxyacetic acid
CID 19866534
2-(3-pentoxypropoxy)acetic acid
CID 87690059
2-(2-ethoxyethoxy)-2-propylpentanoic acid
CID 114993504

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-hexyloctanoic acid?
The IUPAC name of 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-hexyloctanoic acid (CID 18318687) is 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-hexyloctanoic acid.
What is the SMILES notation for 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-hexyloctanoic acid?
The canonical SMILES for 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-hexyloctanoic acid is CCCCCCC(CCCCCC)(OCCOCCOCC(=O)O)C(=O)O.
What is the InChIKey of 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-hexyloctanoic acid?
The InChIKey is FSRONMXPZAAULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O7/c1-3-5-7-9-11-20(19(23)24,12-10-8-6-4-2)27-16-15-25-13-14-26-17-18(21)22/h3-17H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-hexyloctanoic acid?
2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-hexyloctanoic acid has a molecular weight of 390.52 g/mol, XLogP of 3.88, 20 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-hexyloctanoic acid is sourced from PubChem (CID 18318687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).