(2E,6E)-8-[(2E,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienoyl]oxy-2,6-dimethylocta-2,6-dienoic acid

C22H32O6 — CID 53355888

IUPAC(2E,6E)-8-[(2E,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienoyl]oxy-2,6-dimethylocta-2,6-dienoic acid
SMILESCC(=O)OC/C=C(\C)CC/C=C(\C)C(=O)OC/C=C(\C)CC/C=C(\C)C(=O)O
InChIInChI=1S/C22H32O6/c1-16(12-14-27-20(5)23)9-7-11-19(4)22(26)28-15-13-17(2)8-6-10-18(3)21(24)25/h10-13H,6-9,14-15H2,1-5H3,(H,24,25)/b16-12+,17-13+,18-10+,19-11+
InChIKeyAGAVMZLTUOZPDI-MSCZLACJSA-N
MW392.49 g/mol
LogP4.52
Rot. Bonds12

About (2E,6E)-8-[(2E,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienoyl]oxy-2,6-dimethylocta-2,6-dienoic acid

(2E,6E)-8-[(2E,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienoyl]oxy-2,6-dimethylocta-2,6-dienoic acid (PubChem CID 53355888) has the molecular formula C22H32O6 and a molecular weight of 392.49 g/mol. Its IUPAC name is (2E,6E)-8-[(2E,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienoyl]oxy-2,6-dimethylocta-2,6-dienoic acid.

Molecular Properties

Compound Name(2E,6E)-8-[(2E,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienoyl]oxy-2,6-dimethylocta-2,6-dienoic acid
PubChem CID53355888
Molecular FormulaC22H32O6
Molecular Weight392.49 g/mol
Exact Mass392.22
IUPAC Name(2E,6E)-8-[(2E,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienoyl]oxy-2,6-dimethylocta-2,6-dienoic acid
SMILESCC(=O)OC/C=C(\C)CC/C=C(\C)C(=O)OC/C=C(\C)CC/C=C(\C)C(=O)O
InChIInChI=1S/C22H32O6/c1-16(12-14-27-20(5)23)9-7-11-19(4)22(26)28-15-13-17(2)8-6-10-18(3)21(24)25/h10-13H,6-9,14-15H2,1-5H3,(H,24,25)/b16-12+,17-13+,18-10+,19-11+
InChIKeyAGAVMZLTUOZPDI-MSCZLACJSA-N
XLogP4.52
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E,6E)-8-[(2E,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienoyl]oxy-2,6-dimethylocta-2,6-dienoic 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 (2E,6E)-8-[(2E,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienoyl]oxy-2,6-dimethylocta-2,6-dienoic acid?
The IUPAC name of (2E,6E)-8-[(2E,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienoyl]oxy-2,6-dimethylocta-2,6-dienoic acid (CID 53355888) is (2E,6E)-8-[(2E,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienoyl]oxy-2,6-dimethylocta-2,6-dienoic acid.
What is the SMILES notation for (2E,6E)-8-[(2E,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienoyl]oxy-2,6-dimethylocta-2,6-dienoic acid?
The canonical SMILES for (2E,6E)-8-[(2E,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienoyl]oxy-2,6-dimethylocta-2,6-dienoic acid is CC(=O)OC/C=C(\C)CC/C=C(\C)C(=O)OC/C=C(\C)CC/C=C(\C)C(=O)O.
What is the InChIKey of (2E,6E)-8-[(2E,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienoyl]oxy-2,6-dimethylocta-2,6-dienoic acid?
The InChIKey is AGAVMZLTUOZPDI-MSCZLACJSA-N. The full InChI is InChI=1S/C22H32O6/c1-16(12-14-27-20(5)23)9-7-11-19(4)22(26)28-15-13-17(2)8-6-10-18(3)21(24)25/h10-13H,6-9,14-15H2,1-5H3,(H,24,25)/b16-12+,17-13+,18-10+,19-11+.
What are the key properties of (2E,6E)-8-[(2E,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienoyl]oxy-2,6-dimethylocta-2,6-dienoic acid?
(2E,6E)-8-[(2E,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienoyl]oxy-2,6-dimethylocta-2,6-dienoic acid has a molecular weight of 392.49 g/mol, XLogP of 4.52, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-8-[(2E,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienoyl]oxy-2,6-dimethylocta-2,6-dienoic acid is sourced from PubChem (CID 53355888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).