(3S,4aR,8aS)-2,2-Dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-3-yl acetate
TL;DR: (3S,4aR,8aS)-2,2-Dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-3-yl acetate (CAS 101858-95-1) is a chemical compound with molecular formula C13H22O3 and molecular weight 226.15689 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,4aR,8aS)-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-3-yl] acetate
Also Known As: 2,2-Dimethyloctahydro-2H-1-benzopyran-3-yl acetate, (3S,4aR,8aS)-2,2-Dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-3-yl acetate, (3S,4aR,8aS)-2,2-Dimethyloctahydro-2H-1-benzopyran-3-yl acetate, [(3S,4aR,8aS)-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-3-yl] Acetate
Technical Specifications
| Molecular Formula | C13H22O3 |
| Molecular Weight | 226.15689 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.15689 Da |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
| SMILES | CC(=O)O[C@H]1C[C@H]2CCCC[C@@H]2OC1(C)C |
| InChIKey | GGSYKROSVHOMST-WOPDTQHZSA-N |
Chemical Property Profile of (3S,4aR,8aS)-2,2-Dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-3-yl acetate
Property Insights of (3S,4aR,8aS)-2,2-Dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-3-yl acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,4aR,8aS)-2,2-Dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-3-yl acetate. With a topological polar surface area (TPSA) of 35.5 Ų, (3S,4aR,8aS)-2,2-Dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S,4aR,8aS)-2,2-Dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-3-yl acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3S,4aR,8aS)-2,2-Dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-3-yl acetate?
The CAS number of (3S,4aR,8aS)-2,2-Dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-3-yl acetate is 101858-95-1.
What is the molecular formula of (3S,4aR,8aS)-2,2-Dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-3-yl acetate?
The molecular formula of (3S,4aR,8aS)-2,2-Dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-3-yl acetate is C13H22O3.
What is the molecular weight of (3S,4aR,8aS)-2,2-Dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-3-yl acetate?
The molecular weight of (3S,4aR,8aS)-2,2-Dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-3-yl acetate is 226.15689 g/mol.
Where can I buy (3S,4aR,8aS)-2,2-Dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-3-yl acetate?
You can request a quote for (3S,4aR,8aS)-2,2-Dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-3-yl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S,4aR,8aS)-2,2-Dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-3-yl acetate?
Yes, CoreyChem provides custom synthesis services for (3S,4aR,8aS)-2,2-Dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.