2-ethyl-4-methyl-5-(4-methylphenyl)pent-4-enal

C15H20O — CID 76774162

IUPAC2-ethyl-4-methyl-5-(4-methylphenyl)pent-4-enal
SMILESCCC(C=O)CC(C)=Cc1ccc(C)cc1
InChIInChI=1S/C15H20O/c1-4-14(11-16)9-13(3)10-15-7-5-12(2)6-8-15/h5-8,10-11,14H,4,9H2,1-3H3
InChIKeyAFPSAWVJFSWLLT-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.01
Rot. Bonds5

About 2-ethyl-4-methyl-5-(4-methylphenyl)pent-4-enal

2-ethyl-4-methyl-5-(4-methylphenyl)pent-4-enal (PubChem CID 76774162) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-ethyl-4-methyl-5-(4-methylphenyl)pent-4-enal.

Molecular Properties

Compound Name2-ethyl-4-methyl-5-(4-methylphenyl)pent-4-enal
PubChem CID76774162
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2-ethyl-4-methyl-5-(4-methylphenyl)pent-4-enal
SMILESCCC(C=O)CC(C)=Cc1ccc(C)cc1
InChIInChI=1S/C15H20O/c1-4-14(11-16)9-13(3)10-15-7-5-12(2)6-8-15/h5-8,10-11,14H,4,9H2,1-3H3
InChIKeyAFPSAWVJFSWLLT-UHFFFAOYSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethyl-4-methyl-5-(4-methylphenyl)pent-4-enal 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 2-ethyl-4-methyl-5-(4-methylphenyl)pent-4-enal?
The IUPAC name of 2-ethyl-4-methyl-5-(4-methylphenyl)pent-4-enal (CID 76774162) is 2-ethyl-4-methyl-5-(4-methylphenyl)pent-4-enal.
What is the SMILES notation for 2-ethyl-4-methyl-5-(4-methylphenyl)pent-4-enal?
The canonical SMILES for 2-ethyl-4-methyl-5-(4-methylphenyl)pent-4-enal is CCC(C=O)CC(C)=Cc1ccc(C)cc1.
What is the InChIKey of 2-ethyl-4-methyl-5-(4-methylphenyl)pent-4-enal?
The InChIKey is AFPSAWVJFSWLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-4-14(11-16)9-13(3)10-15-7-5-12(2)6-8-15/h5-8,10-11,14H,4,9H2,1-3H3.
What are the key properties of 2-ethyl-4-methyl-5-(4-methylphenyl)pent-4-enal?
2-ethyl-4-methyl-5-(4-methylphenyl)pent-4-enal has a molecular weight of 216.32 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-5-(4-methylphenyl)pent-4-enal is sourced from PubChem (CID 76774162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).