23-ethoxy-23-oxotricosanoic acid

C25H48O4 — CID 67326593

IUPAC23-ethoxy-23-oxotricosanoic acid
SMILESCCOC(=O)CCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C25H48O4/c1-2-29-25(28)23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24(26)27/h2-23H2,1H3,(H,26,27)
InChIKeyPNVSKCZXTGLFLZ-UHFFFAOYSA-N
MW412.66 g/mol
LogP7.83
Rot. Bonds23

About 23-ethoxy-23-oxotricosanoic acid

23-ethoxy-23-oxotricosanoic acid (PubChem CID 67326593) has the molecular formula C25H48O4 and a molecular weight of 412.66 g/mol. Its IUPAC name is 23-ethoxy-23-oxotricosanoic acid.

Molecular Properties

Compound Name23-ethoxy-23-oxotricosanoic acid
PubChem CID67326593
Molecular FormulaC25H48O4
Molecular Weight412.66 g/mol
Exact Mass412.36
IUPAC Name23-ethoxy-23-oxotricosanoic acid
SMILESCCOC(=O)CCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C25H48O4/c1-2-29-25(28)23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24(26)27/h2-23H2,1H3,(H,26,27)
InChIKeyPNVSKCZXTGLFLZ-UHFFFAOYSA-N
XLogP7.83
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.66
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

21-ethoxy-21-oxohenicosanoic acid
CID 155487301
ethyl octanoate;octanoic acid
CID 18625122
5-ethoxy-5-oxopentanoic acid;pentanedioic acid
CID 161278417
9-(3-ethoxy-3-oxopropoxy)-9-oxononanoic acid
CID 152519011
diethyl icosanedioate
CID 5058538
diethyl decanedioate;propanedioic acid
CID 174518023
7-[(7-ethoxy-7-oxoheptyl)diselanyl]heptanoic acid
CID 155670667
diethyl hexanedioate
CID 160747628
nonadecakis(decanoic acid);ethyl decanoate;octadecyl icosanoate
CID 175591452
sodium;diethyl decanedioate;hydride
CID 173076435
1-chloropentane;7-ethoxy-7-oxoheptanoic acid
CID 175129053
1-chloropentane;8-ethoxy-8-oxooctanoic acid
CID 175130522

Frequently Asked Questions

What is the IUPAC name of 23-ethoxy-23-oxotricosanoic acid?
The IUPAC name of 23-ethoxy-23-oxotricosanoic acid (CID 67326593) is 23-ethoxy-23-oxotricosanoic acid.
What is the SMILES notation for 23-ethoxy-23-oxotricosanoic acid?
The canonical SMILES for 23-ethoxy-23-oxotricosanoic acid is CCOC(=O)CCCCCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 23-ethoxy-23-oxotricosanoic acid?
The InChIKey is PNVSKCZXTGLFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48O4/c1-2-29-25(28)23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24(26)27/h2-23H2,1H3,(H,26,27).
What are the key properties of 23-ethoxy-23-oxotricosanoic acid?
23-ethoxy-23-oxotricosanoic acid has a molecular weight of 412.66 g/mol, XLogP of 7.83, 23 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 23-ethoxy-23-oxotricosanoic acid is sourced from PubChem (CID 67326593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).