22-acetyloxydocosanoic acid

C24H46O4 — CID 91481566

IUPAC22-acetyloxydocosanoic acid
SMILESCC(=O)OCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C24H46O4/c1-23(25)28-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-24(26)27/h2-22H2,1H3,(H,26,27)
InChIKeyVTAMBEZBCYKUGU-UHFFFAOYSA-N
MW398.63 g/mol
LogP7.44
Rot. Bonds22

About 22-acetyloxydocosanoic acid

22-acetyloxydocosanoic acid (PubChem CID 91481566) has the molecular formula C24H46O4 and a molecular weight of 398.63 g/mol. Its IUPAC name is 22-acetyloxydocosanoic acid.

Molecular Properties

Compound Name22-acetyloxydocosanoic acid
PubChem CID91481566
Molecular FormulaC24H46O4
Molecular Weight398.63 g/mol
Exact Mass398.34
IUPAC Name22-acetyloxydocosanoic acid
SMILESCC(=O)OCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C24H46O4/c1-23(25)28-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-24(26)27/h2-22H2,1H3,(H,26,27)
InChIKeyVTAMBEZBCYKUGU-UHFFFAOYSA-N
XLogP7.44
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.63
LogP ≤ 57.44
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

13-acetyloxytridecanoic acid
CID 10084643
5-acetyloxypentanoic acid
CID 12642003
icosanoic acid;octadecyl acetate
CID 160822972
11-acetyloxyundecyl acetate
CID 87784419
[(Z)-dodec-7-enyl] acetate;(Z)-tetradec-9-enoic acid
CID 157118571
dodec-8-enyl acetate;(Z)-tetradec-10-enoic acid
CID 175742696
7-chlorooct-7-enyl acetate
CID 24722134
(10-bromo-10-oxodecyl) acetate
CID 141175497
14-(2-methylprop-2-enoyloxy)tetradecanoic acid
CID 139687613
9-(2-methylprop-2-enoyloxy)nonanoic acid
CID 58887171
pentadec-6-enoic acid;tridec-4-enyl acetate
CID 159316398
18-(9-carboxynonanoyloxy)octadecanoic acid
CID 87097649

Frequently Asked Questions

What is the IUPAC name of 22-acetyloxydocosanoic acid?
The IUPAC name of 22-acetyloxydocosanoic acid (CID 91481566) is 22-acetyloxydocosanoic acid.
What is the SMILES notation for 22-acetyloxydocosanoic acid?
The canonical SMILES for 22-acetyloxydocosanoic acid is CC(=O)OCCCCCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 22-acetyloxydocosanoic acid?
The InChIKey is VTAMBEZBCYKUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O4/c1-23(25)28-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-24(26)27/h2-22H2,1H3,(H,26,27).
What are the key properties of 22-acetyloxydocosanoic acid?
22-acetyloxydocosanoic acid has a molecular weight of 398.63 g/mol, XLogP of 7.44, 22 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 22-acetyloxydocosanoic acid is sourced from PubChem (CID 91481566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).