Myrtanyl acetate
TL;DR: Myrtanyl acetate (CAS 29021-36-1) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.14633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl acetate
Also Known As: Myrtanyl acetate, (-)-cis-Myrtanyl acetate, KST-1A3569, (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl acetate, (6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methyl acetate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H20O2 |
| Molecular Weight | 196.14633 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.14633 Da |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
| SMILES | CC(=O)OCC1CCC2CC1C2(C)C |
| InChIKey | UWHRPSXEBAXLDR-UHFFFAOYSA-N |
Chemical Property Profile of Myrtanyl acetate
Property Insights of Myrtanyl acetate
The XLogP value of 3.1 indicates that Myrtanyl 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, Myrtanyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Myrtanyl 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 Myrtanyl acetate?
The CAS number of Myrtanyl acetate is 29021-36-1.
What is the molecular formula of Myrtanyl acetate?
The molecular formula of Myrtanyl acetate is C12H20O2.
What is the molecular weight of Myrtanyl acetate?
The molecular weight of Myrtanyl acetate is 196.14633 g/mol.
Where can I buy Myrtanyl acetate?
You can request a quote for Myrtanyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Myrtanyl acetate?
Yes, CoreyChem provides custom synthesis services for Myrtanyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.