(Z)-3-decanoyloxytetradec-7-enoic acid

C24H44O4 — CID 171120162

IUPAC(Z)-3-decanoyloxytetradec-7-enoic acid
SMILESCCCCCC/C=C\CCCC(CC(=O)O)OC(=O)CCCCCCCCC
InChIInChI=1S/C24H44O4/c1-3-5-7-9-11-12-14-15-17-19-22(21-23(25)26)28-24(27)20-18-16-13-10-8-6-4-2/h12,14,22H,3-11,13,15-21H2,1-2H3,(H,25,26)/b14-12-
InChIKeyAJJVREIQAHBRRL-OWBHPGMISA-N
MW396.61 g/mol
LogP7.21
Rot. Bonds20

About (Z)-3-decanoyloxytetradec-7-enoic acid

(Z)-3-decanoyloxytetradec-7-enoic acid (PubChem CID 171120162) has the molecular formula C24H44O4 and a molecular weight of 396.61 g/mol. Its IUPAC name is (Z)-3-decanoyloxytetradec-7-enoic acid.

Molecular Properties

Compound Name(Z)-3-decanoyloxytetradec-7-enoic acid
PubChem CID171120162
Molecular FormulaC24H44O4
Molecular Weight396.61 g/mol
Exact Mass396.32
IUPAC Name(Z)-3-decanoyloxytetradec-7-enoic acid
SMILESCCCCCC/C=C\CCCC(CC(=O)O)OC(=O)CCCCCCCCC
InChIInChI=1S/C24H44O4/c1-3-5-7-9-11-12-14-15-17-19-22(21-23(25)26)28-24(27)20-18-16-13-10-8-6-4-2/h12,14,22H,3-11,13,15-21H2,1-2H3,(H,25,26)/b14-12-
InChIKeyAJJVREIQAHBRRL-OWBHPGMISA-N
XLogP7.21
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.61
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-3-decanoyloxytetradec-7-enoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-decanoyloxytetradec-7-enoic acid?
The IUPAC name of (Z)-3-decanoyloxytetradec-7-enoic acid (CID 171120162) is (Z)-3-decanoyloxytetradec-7-enoic acid.
What is the SMILES notation for (Z)-3-decanoyloxytetradec-7-enoic acid?
The canonical SMILES for (Z)-3-decanoyloxytetradec-7-enoic acid is CCCCCC/C=C\CCCC(CC(=O)O)OC(=O)CCCCCCCCC.
What is the InChIKey of (Z)-3-decanoyloxytetradec-7-enoic acid?
The InChIKey is AJJVREIQAHBRRL-OWBHPGMISA-N. The full InChI is InChI=1S/C24H44O4/c1-3-5-7-9-11-12-14-15-17-19-22(21-23(25)26)28-24(27)20-18-16-13-10-8-6-4-2/h12,14,22H,3-11,13,15-21H2,1-2H3,(H,25,26)/b14-12-.
What are the key properties of (Z)-3-decanoyloxytetradec-7-enoic acid?
(Z)-3-decanoyloxytetradec-7-enoic acid has a molecular weight of 396.61 g/mol, XLogP of 7.21, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-decanoyloxytetradec-7-enoic acid is sourced from PubChem (CID 171120162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).