3-Octanol, 3,6-dimethyl-, 3-acetate
TL;DR: 3-Octanol, 3,6-dimethyl-, 3-acetate (CAS 60763-42-0) is a chemical compound with molecular formula C12H24O2 and molecular weight 200.17763 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,6-dimethyloctan-3-yl acetate
Also Known As: 3,6-Dimethyloctan-3-yl acetate, 3,6-Dimethyl-3-octyl acetate, 3,6-Dimethyl-3-octanol acetate, 3-Octanol, 3,6-dimethyl-, acetate, 3-Octanol, 3,6-dimethyl-, 3-acetate
Technical Specifications
| Molecular Formula | C12H24O2 |
| Molecular Weight | 200.17763 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 200.17763 Da |
| Heavy Atoms | 14 |
| Complexity | 177.0 |
| SMILES | CCC(C)CCC(C)(CC)OC(=O)C |
| InChIKey | JFKHPWLOPZASHC-UHFFFAOYSA-N |
Chemical Property Profile of 3-Octanol, 3,6-dimethyl-, 3-acetate
Property Insights of 3-Octanol, 3,6-dimethyl-, 3-acetate
The XLogP value of 3.8 indicates that 3-Octanol, 3,6-dimethyl-, 3-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, 3-Octanol, 3,6-dimethyl-, 3-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Octanol, 3,6-dimethyl-, 3-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 3-Octanol, 3,6-dimethyl-, 3-acetate?
The CAS number of 3-Octanol, 3,6-dimethyl-, 3-acetate is 60763-42-0.
What is the molecular formula of 3-Octanol, 3,6-dimethyl-, 3-acetate?
The molecular formula of 3-Octanol, 3,6-dimethyl-, 3-acetate is C12H24O2.
What is the molecular weight of 3-Octanol, 3,6-dimethyl-, 3-acetate?
The molecular weight of 3-Octanol, 3,6-dimethyl-, 3-acetate is 200.17763 g/mol.
Where can I buy 3-Octanol, 3,6-dimethyl-, 3-acetate?
You can request a quote for 3-Octanol, 3,6-dimethyl-, 3-acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Octanol, 3,6-dimethyl-, 3-acetate?
Yes, CoreyChem provides custom synthesis services for 3-Octanol, 3,6-dimethyl-, 3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.