15-tetracosanoyloxydocosanoic acid

C46H90O4 — CID 133051688

IUPAC15-tetracosanoyloxydocosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(CCCCCCC)CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C46H90O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31-35-39-43-46(49)50-44(40-36-32-8-6-4-2)41-37-33-29-26-23-22-24-27-30-34-38-42-45(47)48/h44H,3-43H2,1-2H3,(H,47,48)
InChIKeyFBGUQUWPGBXVMI-UHFFFAOYSA-N
MW707.22 g/mol
LogP16.02
Rot. Bonds43

About 15-tetracosanoyloxydocosanoic acid

15-tetracosanoyloxydocosanoic acid (PubChem CID 133051688) has the molecular formula C46H90O4 and a molecular weight of 707.22 g/mol. Its IUPAC name is 15-tetracosanoyloxydocosanoic acid.

Molecular Properties

Compound Name15-tetracosanoyloxydocosanoic acid
PubChem CID133051688
Molecular FormulaC46H90O4
Molecular Weight707.22 g/mol
Exact Mass706.68
IUPAC Name15-tetracosanoyloxydocosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(CCCCCCC)CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C46H90O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31-35-39-43-46(49)50-44(40-36-32-8-6-4-2)41-37-33-29-26-23-22-24-27-30-34-38-42-45(47)48/h44H,3-43H2,1-2H3,(H,47,48)
InChIKeyFBGUQUWPGBXVMI-UHFFFAOYSA-N
XLogP16.02
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds43
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.22
LogP ≤ 516.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 15-tetracosanoyloxydocosanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-tetracosanoyloxytetracosanoic acid
CID 133051703
8-undecanoyloxytetradecanoic acid
CID 138232989
9-henicosanoyloxyhenicosanoic acid
CID 138240235
17-icosanoyloxydocosanoic acid
CID 133050004
19-icosanoyloxytetracosanoic acid
CID 133050026
9-pentadecanoyloxynonadecanoic acid
CID 138160959
9-docosanoyloxynonadecanoic acid
CID 138220014
7-docosanoyloxytetracosanoic acid
CID 133050791
14-tetracosanoyloxyicosanoic acid
CID 133051669
7-dodecanoyloxydodecanoic acid
CID 138297320
12-hexadecanoyloxytetracosanoic acid
CID 133048932
9-hexadecanoyloxydocosanoic acid
CID 133048909

Frequently Asked Questions

What is the IUPAC name of 15-tetracosanoyloxydocosanoic acid?
The IUPAC name of 15-tetracosanoyloxydocosanoic acid (CID 133051688) is 15-tetracosanoyloxydocosanoic acid.
What is the SMILES notation for 15-tetracosanoyloxydocosanoic acid?
The canonical SMILES for 15-tetracosanoyloxydocosanoic acid is CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(CCCCCCC)CCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 15-tetracosanoyloxydocosanoic acid?
The InChIKey is FBGUQUWPGBXVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H90O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31-35-39-43-46(49)50-44(40-36-32-8-6-4-2)41-37-33-29-26-23-22-24-27-30-34-38-42-45(47)48/h44H,3-43H2,1-2H3,(H,47,48).
What are the key properties of 15-tetracosanoyloxydocosanoic acid?
15-tetracosanoyloxydocosanoic acid has a molecular weight of 707.22 g/mol, XLogP of 16.02, 43 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-tetracosanoyloxydocosanoic acid is sourced from PubChem (CID 133051688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).