epsilon-Dodecalactone
TL;DR: epsilon-Dodecalactone (CAS 16429-21-3) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-hexyloxepan-2-one
Also Known As: 7-Hexyloxepan-2-one, epsilon-Dodecalactone, 6-Hexylhexanolide, 7-Hexyl-2-oxepanone, 2-Oxepanone, 7-hexyl-
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H22O2 |
| Molecular Weight | 198.16199 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.16199 Da |
| Heavy Atoms | 14 |
| Complexity | 166.0 |
| Density | 0.950- 0.958 |
| Refractive Index | 1.459-1.463 |
| Solubility | slightly soluble in water; miscible with fats |
| SMILES | CCCCCCC1CCCCC(=O)O1 |
| InChIKey | FRTMRFCNTDDSOB-UHFFFAOYSA-N |
Chemical Property Profile of epsilon-Dodecalactone
Property Insights of epsilon-Dodecalactone
The XLogP value of 3.4 indicates that epsilon-Dodecalactone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, epsilon-Dodecalactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, epsilon-Dodecalactone 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 epsilon-Dodecalactone?
The CAS number of epsilon-Dodecalactone is 16429-21-3.
What is the molecular formula of epsilon-Dodecalactone?
The molecular formula of epsilon-Dodecalactone is C12H22O2.
What is the molecular weight of epsilon-Dodecalactone?
The molecular weight of epsilon-Dodecalactone is 198.16199 g/mol.
Where can I buy epsilon-Dodecalactone?
You can request a quote for epsilon-Dodecalactone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for epsilon-Dodecalactone?
Yes, CoreyChem provides custom synthesis services for epsilon-Dodecalactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.