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

C28H54O7 — CID 18318682

IUPAC2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-decyldodecanoic acid
SMILESCCCCCCCCCCC(CCCCCCCCCC)(OCCOCCOCC(=O)O)C(=O)O
InChIInChI=1S/C28H54O7/c1-3-5-7-9-11-13-15-17-19-28(27(31)32,20-18-16-14-12-10-8-6-4-2)35-24-23-33-21-22-34-25-26(29)30/h3-25H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyYWZMNZYDDUKZBB-UHFFFAOYSA-N
MW502.73 g/mol
LogP7.01
Rot. Bonds28

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

2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-decyldodecanoic acid (PubChem CID 18318682) has the molecular formula C28H54O7 and a molecular weight of 502.73 g/mol. Its IUPAC name is 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-decyldodecanoic acid.

Molecular Properties

Compound Name2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-decyldodecanoic acid
PubChem CID18318682
Molecular FormulaC28H54O7
Molecular Weight502.73 g/mol
Exact Mass502.39
IUPAC Name2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-decyldodecanoic acid
SMILESCCCCCCCCCCC(CCCCCCCCCC)(OCCOCCOCC(=O)O)C(=O)O
InChIInChI=1S/C28H54O7/c1-3-5-7-9-11-13-15-17-19-28(27(31)32,20-18-16-14-12-10-8-6-4-2)35-24-23-33-21-22-34-25-26(29)30/h3-25H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyYWZMNZYDDUKZBB-UHFFFAOYSA-N
XLogP7.01
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.73
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(carboxymethoxy)ethoxy]ethoxy]-2-decyldodecanoic acid?
The IUPAC name of 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-decyldodecanoic acid (CID 18318682) is 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-decyldodecanoic acid.
What is the SMILES notation for 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-decyldodecanoic acid?
The canonical SMILES for 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-decyldodecanoic acid is CCCCCCCCCCC(CCCCCCCCCC)(OCCOCCOCC(=O)O)C(=O)O.
What is the InChIKey of 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-decyldodecanoic acid?
The InChIKey is YWZMNZYDDUKZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54O7/c1-3-5-7-9-11-13-15-17-19-28(27(31)32,20-18-16-14-12-10-8-6-4-2)35-24-23-33-21-22-34-25-26(29)30/h3-25H2,1-2H3,(H,29,30)(H,31,32).
What are the key properties of 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-decyldodecanoic acid?
2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-decyldodecanoic acid has a molecular weight of 502.73 g/mol, XLogP of 7.01, 28 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-decyldodecanoic acid is sourced from PubChem (CID 18318682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).