About 6-ethyl-4-methyl-6-propylnon-2-ene
6-ethyl-4-methyl-6-propylnon-2-ene (PubChem CID 123705337) has the molecular formula C15H30
and a molecular weight of 210.41 g/mol. Its IUPAC name is 6-ethyl-4-methyl-6-propylnon-2-ene.
Molecular Properties
| Compound Name | 6-ethyl-4-methyl-6-propylnon-2-ene |
| PubChem CID | 123705337 |
| Molecular Formula | C15H30 |
| Molecular Weight | 210.41 g/mol |
| Exact Mass | 210.23 |
| IUPAC Name | 6-ethyl-4-methyl-6-propylnon-2-ene |
| SMILES | CC=CC(C)CC(CC)(CCC)CCC |
| InChI | InChI=1S/C15H30/c1-6-10-14(5)13-15(9-4,11-7-2)12-8-3/h6,10,14H,7-9,11-13H2,1-5H3 |
| InChIKey | QVZYCBNZRDNHIM-UHFFFAOYSA-N |
| XLogP | 5.59 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 8 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 210.41 |
| LogP ≤ 5 | 5.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|
Analyze 6-ethyl-4-methyl-6-propylnon-2-ene 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 6-ethyl-4-methyl-6-propylnon-2-ene?
The IUPAC name of 6-ethyl-4-methyl-6-propylnon-2-ene (CID 123705337) is 6-ethyl-4-methyl-6-propylnon-2-ene.
What is the SMILES notation for 6-ethyl-4-methyl-6-propylnon-2-ene?
The canonical SMILES for 6-ethyl-4-methyl-6-propylnon-2-ene is CC=CC(C)CC(CC)(CCC)CCC.
What is the InChIKey of 6-ethyl-4-methyl-6-propylnon-2-ene?
The InChIKey is QVZYCBNZRDNHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-6-10-14(5)13-15(9-4,11-7-2)12-8-3/h6,10,14H,7-9,11-13H2,1-5H3.
What are the key properties of 6-ethyl-4-methyl-6-propylnon-2-ene?
6-ethyl-4-methyl-6-propylnon-2-ene has a molecular weight of 210.41 g/mol, XLogP of 5.59, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-methyl-6-propylnon-2-ene is sourced from PubChem (CID 123705337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).