2-Methyloctahydro-2H-1-benzopyran-3-yl formate
TL;DR: 2-Methyloctahydro-2H-1-benzopyran-3-yl formate (CAS 101858-91-7) is a chemical compound with molecular formula C11H18O3 and molecular weight 198.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-yl] formate
Also Known As: 2-Methyloctahydro-2H-1-benzopyran-3-yl formate, 2H-1-Benzopyran-3-ol, octahydro-2-methyl-, formate, (2alpha,3beta,4aalpha,8abeta)-, (2S,4aS,8aR)-2-Methyloctahydro-2H-1-benzopyran-3-yl formate, [(2S,4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-3-yl] Formate
Technical Specifications
| Molecular Formula | C11H18O3 |
| Molecular Weight | 198.1256 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.1256 Da |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
| SMILES | C[C@H]1C(C[C@@H]2CCCC[C@H]2O1)OC=O |
| InChIKey | FBQONLAFKVMNGB-GKDVJIACSA-N |
Chemical Property Profile of 2-Methyloctahydro-2H-1-benzopyran-3-yl formate
Property Insights of 2-Methyloctahydro-2H-1-benzopyran-3-yl formate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyloctahydro-2H-1-benzopyran-3-yl formate. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Methyloctahydro-2H-1-benzopyran-3-yl formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyloctahydro-2H-1-benzopyran-3-yl formate 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 2-Methyloctahydro-2H-1-benzopyran-3-yl formate?
The CAS number of 2-Methyloctahydro-2H-1-benzopyran-3-yl formate is 101858-91-7.
What is the molecular formula of 2-Methyloctahydro-2H-1-benzopyran-3-yl formate?
The molecular formula of 2-Methyloctahydro-2H-1-benzopyran-3-yl formate is C11H18O3.
What is the molecular weight of 2-Methyloctahydro-2H-1-benzopyran-3-yl formate?
The molecular weight of 2-Methyloctahydro-2H-1-benzopyran-3-yl formate is 198.1256 g/mol.
Where can I buy 2-Methyloctahydro-2H-1-benzopyran-3-yl formate?
You can request a quote for 2-Methyloctahydro-2H-1-benzopyran-3-yl formate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyloctahydro-2H-1-benzopyran-3-yl formate?
Yes, CoreyChem provides custom synthesis services for 2-Methyloctahydro-2H-1-benzopyran-3-yl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.