2-acetyloxytetracosanoic acid

C26H50O4 — CID 14681884

IUPAC2-acetyloxytetracosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCC(OC(C)=O)C(=O)O
InChIInChI=1S/C26H50O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(26(28)29)30-24(2)27/h25H,3-23H2,1-2H3,(H,28,29)
InChIKeyUSHLGTXWTJINJU-UHFFFAOYSA-N
MW426.68 g/mol
LogP8.21
Rot. Bonds23

About 2-acetyloxytetracosanoic acid

2-acetyloxytetracosanoic acid (PubChem CID 14681884) has the molecular formula C26H50O4 and a molecular weight of 426.68 g/mol. Its IUPAC name is 2-acetyloxytetracosanoic acid.

Molecular Properties

Compound Name2-acetyloxytetracosanoic acid
PubChem CID14681884
Molecular FormulaC26H50O4
Molecular Weight426.68 g/mol
Exact Mass426.37
IUPAC Name2-acetyloxytetracosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCC(OC(C)=O)C(=O)O
InChIInChI=1S/C26H50O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(26(28)29)30-24(2)27/h25H,3-23H2,1-2H3,(H,28,29)
InChIKeyUSHLGTXWTJINJU-UHFFFAOYSA-N
XLogP8.21
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.68
LogP ≤ 58.21
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

Glyceryl 1-monooctanoate
CID 3033877
Monostearin
CID 24699
Propylene Glycol Monostearate
CID 14878
1-Decanoylglycerol
CID 92926
Monolaurin
CID 14871
Glyceryl Myristate
CID 79050
2-Palmitoylglycerol
CID 123409
Glyceryl 1,3-distearate
CID 101269
1,3-Dipalmitin
CID 68149
1-Palmitoyl-sn-glycerol
CID 3084463
Glyceryl Monobehenate
CID 5362585
Propylene Glycol Dipelargonate
CID 38855

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxytetracosanoic acid?
The IUPAC name of 2-acetyloxytetracosanoic acid (CID 14681884) is 2-acetyloxytetracosanoic acid.
What is the SMILES notation for 2-acetyloxytetracosanoic acid?
The canonical SMILES for 2-acetyloxytetracosanoic acid is CCCCCCCCCCCCCCCCCCCCCCC(OC(C)=O)C(=O)O.
What is the InChIKey of 2-acetyloxytetracosanoic acid?
The InChIKey is USHLGTXWTJINJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(26(28)29)30-24(2)27/h25H,3-23H2,1-2H3,(H,28,29).
What are the key properties of 2-acetyloxytetracosanoic acid?
2-acetyloxytetracosanoic acid has a molecular weight of 426.68 g/mol, XLogP of 8.21, 23 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxytetracosanoic acid is sourced from PubChem (CID 14681884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).