4-Heptanol, 2,6-dimethyl-, 4-acetate
TL;DR: 4-Heptanol, 2,6-dimethyl-, 4-acetate (CAS 10250-45-0) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dimethylheptan-4-yl acetate
Also Known As: 2,6-dimethylheptan-4-yl acetate, Diisobutylcarbinyl acetate, 3-Methyl-1-isobutylbutyl acetate, Diisobutyl carbinyl acetate, 4-Heptanol, 2,6-dimethyl-, acetate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H22O2 |
| Molecular Weight | 186.16199 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 186.16199 Da |
| Heavy Atoms | 13 |
| Complexity | 140.0 |
| SMILES | CC(C)CC(CC(C)C)OC(=O)C |
| InChIKey | XLJDNKNPKUBQMX-UHFFFAOYSA-N |
Chemical Property Profile of 4-Heptanol, 2,6-dimethyl-, 4-acetate
Property Insights of 4-Heptanol, 2,6-dimethyl-, 4-acetate
The XLogP value of 3.6 indicates that 4-Heptanol, 2,6-dimethyl-, 4-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Heptanol, 2,6-dimethyl-, 4-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Heptanol, 2,6-dimethyl-, 4-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 4-Heptanol, 2,6-dimethyl-, 4-acetate?
The CAS number of 4-Heptanol, 2,6-dimethyl-, 4-acetate is 10250-45-0.
What is the molecular formula of 4-Heptanol, 2,6-dimethyl-, 4-acetate?
The molecular formula of 4-Heptanol, 2,6-dimethyl-, 4-acetate is C11H22O2.
What is the molecular weight of 4-Heptanol, 2,6-dimethyl-, 4-acetate?
The molecular weight of 4-Heptanol, 2,6-dimethyl-, 4-acetate is 186.16199 g/mol.
Where can I buy 4-Heptanol, 2,6-dimethyl-, 4-acetate?
You can request a quote for 4-Heptanol, 2,6-dimethyl-, 4-acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Heptanol, 2,6-dimethyl-, 4-acetate?
Yes, CoreyChem provides custom synthesis services for 4-Heptanol, 2,6-dimethyl-, 4-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.