6-Methyl-5-hepten-2-yl acetate
TL;DR: 6-Methyl-5-hepten-2-yl acetate (CAS 19162-00-6) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methylhept-5-en-2-yl acetate
Also Known As: 6-methylhept-5-en-2-yl acetate, 6-Methyl-5-hepten-2-yl acetate, Sulcatyl acetate, 1,5-Dimethylhex-4-enyl acetate, 5-Hepten-2-ol, 6-methyl-, 2-acetate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.13068 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 170.13068 Da |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
| Boiling Point | 184.00 °C. @ 760.00 mm Hg |
| Density | 0.893-0.903 |
| Refractive Index | 1.420-1.429 |
| Solubility | Insoluble in water; soluble in non-polar solvents |
| SMILES | CC(CCC=C(C)C)OC(=O)C |
| InChIKey | ZAKWGQOSOHQPJA-UHFFFAOYSA-N |
Chemical Property Profile of 6-Methyl-5-hepten-2-yl acetate
Property Insights of 6-Methyl-5-hepten-2-yl acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-5-hepten-2-yl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 6-Methyl-5-hepten-2-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-5-hepten-2-yl acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-Methyl-5-hepten-2-yl acetate?
The CAS number of 6-Methyl-5-hepten-2-yl acetate is 19162-00-6.
What is the molecular formula of 6-Methyl-5-hepten-2-yl acetate?
The molecular formula of 6-Methyl-5-hepten-2-yl acetate is C10H18O2.
What is the molecular weight of 6-Methyl-5-hepten-2-yl acetate?
The molecular weight of 6-Methyl-5-hepten-2-yl acetate is 170.13068 g/mol.
Where can I buy 6-Methyl-5-hepten-2-yl acetate?
You can request a quote for 6-Methyl-5-hepten-2-yl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Methyl-5-hepten-2-yl acetate?
Yes, CoreyChem provides custom synthesis services for 6-Methyl-5-hepten-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.