(2E)-4-(2,4-dimethylphenyl)-2,4,7-trimethylocta-2,6-dienal

C19H26O — CID 164580149

IUPAC(2E)-4-(2,4-dimethylphenyl)-2,4,7-trimethylocta-2,6-dienal
SMILESCC(C)=CCC(C)(/C=C(\C)C=O)c1ccc(C)cc1C
InChIInChI=1S/C19H26O/c1-14(2)9-10-19(6,12-16(4)13-20)18-8-7-15(3)11-17(18)5/h7-9,11-13H,10H2,1-6H3/b16-12+
InChIKeyNVMOKSBEDDIKKW-FOWTUZBSSA-N
MW270.42 g/mol
LogP5.06
Rot. Bonds5

About (2E)-4-(2,4-dimethylphenyl)-2,4,7-trimethylocta-2,6-dienal

(2E)-4-(2,4-dimethylphenyl)-2,4,7-trimethylocta-2,6-dienal (PubChem CID 164580149) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is (2E)-4-(2,4-dimethylphenyl)-2,4,7-trimethylocta-2,6-dienal.

Molecular Properties

Compound Name(2E)-4-(2,4-dimethylphenyl)-2,4,7-trimethylocta-2,6-dienal
PubChem CID164580149
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name(2E)-4-(2,4-dimethylphenyl)-2,4,7-trimethylocta-2,6-dienal
SMILESCC(C)=CCC(C)(/C=C(\C)C=O)c1ccc(C)cc1C
InChIInChI=1S/C19H26O/c1-14(2)9-10-19(6,12-16(4)13-20)18-8-7-15(3)11-17(18)5/h7-9,11-13H,10H2,1-6H3/b16-12+
InChIKeyNVMOKSBEDDIKKW-FOWTUZBSSA-N
XLogP5.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-4-(2,4-dimethylphenyl)-2,4,7-trimethylocta-2,6-dienal 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)-4-(2,4-dimethylphenyl)-2,4,7-trimethylocta-2,6-dienal?
The IUPAC name of (2E)-4-(2,4-dimethylphenyl)-2,4,7-trimethylocta-2,6-dienal (CID 164580149) is (2E)-4-(2,4-dimethylphenyl)-2,4,7-trimethylocta-2,6-dienal.
What is the SMILES notation for (2E)-4-(2,4-dimethylphenyl)-2,4,7-trimethylocta-2,6-dienal?
The canonical SMILES for (2E)-4-(2,4-dimethylphenyl)-2,4,7-trimethylocta-2,6-dienal is CC(C)=CCC(C)(/C=C(\C)C=O)c1ccc(C)cc1C.
What is the InChIKey of (2E)-4-(2,4-dimethylphenyl)-2,4,7-trimethylocta-2,6-dienal?
The InChIKey is NVMOKSBEDDIKKW-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H26O/c1-14(2)9-10-19(6,12-16(4)13-20)18-8-7-15(3)11-17(18)5/h7-9,11-13H,10H2,1-6H3/b16-12+.
What are the key properties of (2E)-4-(2,4-dimethylphenyl)-2,4,7-trimethylocta-2,6-dienal?
(2E)-4-(2,4-dimethylphenyl)-2,4,7-trimethylocta-2,6-dienal has a molecular weight of 270.42 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-(2,4-dimethylphenyl)-2,4,7-trimethylocta-2,6-dienal is sourced from PubChem (CID 164580149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).