2-(decanoyloxydiazenyl)benzoic acid

C17H24N2O4 — CID 141322581

IUPAC2-(decanoyloxydiazenyl)benzoic acid
SMILESCCCCCCCCCC(=O)O/N=N/c1ccccc1C(=O)O
InChIInChI=1S/C17H24N2O4/c1-2-3-4-5-6-7-8-13-16(20)23-19-18-15-12-10-9-11-14(15)17(21)22/h9-12H,2-8,13H2,1H3,(H,21,22)/b19-18+
InChIKeyZIEVSTDVNWJXNK-VHEBQXMUSA-N
MW320.39 g/mol
LogP5.07
Rot. Bonds11

About 2-(decanoyloxydiazenyl)benzoic acid

2-(decanoyloxydiazenyl)benzoic acid (PubChem CID 141322581) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(decanoyloxydiazenyl)benzoic acid.

Molecular Properties

Compound Name2-(decanoyloxydiazenyl)benzoic acid
PubChem CID141322581
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-(decanoyloxydiazenyl)benzoic acid
SMILESCCCCCCCCCC(=O)O/N=N/c1ccccc1C(=O)O
InChIInChI=1S/C17H24N2O4/c1-2-3-4-5-6-7-8-13-16(20)23-19-18-15-12-10-9-11-14(15)17(21)22/h9-12H,2-8,13H2,1H3,(H,21,22)/b19-18+
InChIKeyZIEVSTDVNWJXNK-VHEBQXMUSA-N
XLogP5.07
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

decane;phthalic acid
CID 158763790
2-(heptylideneamino)benzoic acid
CID 24833810
hexanamide;phthalic acid
CID 159778698
dinonanoyl benzene-1,2-dicarboxylate
CID 175883332
2-hydroxybenzoic acid;octyl nitrite
CID 160599086
3-dodecanoyloxyphthalic acid
CID 139623871
docosane;2-hydroxybenzoic acid
CID 161423500
2-(2-oxotetradecanoyl)benzoic acid
CID 139595618
phenyl hexapentacontanoate
CID 139682998
phenyl hexacosanoate
CID 23321598
phenyl tridecanoate
CID 54389784
phenyl dopentacontanoate
CID 139682818

Frequently Asked Questions

What is the IUPAC name of 2-(decanoyloxydiazenyl)benzoic acid?
The IUPAC name of 2-(decanoyloxydiazenyl)benzoic acid (CID 141322581) is 2-(decanoyloxydiazenyl)benzoic acid.
What is the SMILES notation for 2-(decanoyloxydiazenyl)benzoic acid?
The canonical SMILES for 2-(decanoyloxydiazenyl)benzoic acid is CCCCCCCCCC(=O)O/N=N/c1ccccc1C(=O)O.
What is the InChIKey of 2-(decanoyloxydiazenyl)benzoic acid?
The InChIKey is ZIEVSTDVNWJXNK-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-2-3-4-5-6-7-8-13-16(20)23-19-18-15-12-10-9-11-14(15)17(21)22/h9-12H,2-8,13H2,1H3,(H,21,22)/b19-18+.
What are the key properties of 2-(decanoyloxydiazenyl)benzoic acid?
2-(decanoyloxydiazenyl)benzoic acid has a molecular weight of 320.39 g/mol, XLogP of 5.07, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(decanoyloxydiazenyl)benzoic acid is sourced from PubChem (CID 141322581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).