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

C24H46O7 — CID 18318707

IUPAC2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-octyldecanoic acid
SMILESCCCCCCCCC(CCCCCCCC)(OCCOCCOCC(=O)O)C(=O)O
InChIInChI=1S/C24H46O7/c1-3-5-7-9-11-13-15-24(23(27)28,16-14-12-10-8-6-4-2)31-20-19-29-17-18-30-21-22(25)26/h3-21H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyPNRBDYGTBXBIRQ-UHFFFAOYSA-N
MW446.63 g/mol
LogP5.45
Rot. Bonds24

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

2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-octyldecanoic acid (PubChem CID 18318707) has the molecular formula C24H46O7 and a molecular weight of 446.63 g/mol. Its IUPAC name is 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-octyldecanoic acid.

Molecular Properties

Compound Name2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-octyldecanoic acid
PubChem CID18318707
Molecular FormulaC24H46O7
Molecular Weight446.63 g/mol
Exact Mass446.32
IUPAC Name2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-octyldecanoic acid
SMILESCCCCCCCCC(CCCCCCCC)(OCCOCCOCC(=O)O)C(=O)O
InChIInChI=1S/C24H46O7/c1-3-5-7-9-11-13-15-24(23(27)28,16-14-12-10-8-6-4-2)31-20-19-29-17-18-30-21-22(25)26/h3-21H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyPNRBDYGTBXBIRQ-UHFFFAOYSA-N
XLogP5.45
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.63
LogP ≤ 55.45
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-octyldecanoic acid?
The IUPAC name of 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-octyldecanoic acid (CID 18318707) is 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-octyldecanoic acid.
What is the SMILES notation for 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-octyldecanoic acid?
The canonical SMILES for 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-octyldecanoic acid is CCCCCCCCC(CCCCCCCC)(OCCOCCOCC(=O)O)C(=O)O.
What is the InChIKey of 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-octyldecanoic acid?
The InChIKey is PNRBDYGTBXBIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O7/c1-3-5-7-9-11-13-15-24(23(27)28,16-14-12-10-8-6-4-2)31-20-19-29-17-18-30-21-22(25)26/h3-21H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-octyldecanoic acid?
2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]-2-octyldecanoic acid has a molecular weight of 446.63 g/mol, XLogP of 5.45, 24 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-octyldecanoic acid is sourced from PubChem (CID 18318707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).