methyl 1,1,6-trimethyl-3-oxooctahydro-1H-isochromene-4-carboxylate
TL;DR: methyl 1,1,6-trimethyl-3-oxooctahydro-1H-isochromene-4-carboxylate (CAS 1214629-66-9) is a chemical compound with molecular formula C14H22O4 and molecular weight 254.15181 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 1,1,6-trimethyl-3-oxo-4a,5,6,7,8,8a-hexahydro-4H-isochromene-4-carboxylate
Also Known As: methyl 1,1,6-trimethyl-3-oxooctahydro-1H-isochromene-4-carboxylate, methyl 1,1,6-trimethyl-3-oxo-4a,5,6,7,8,8a-hexahydro-4H-isochromene-4-carboxylate
Technical Specifications
| Molecular Formula | C14H22O4 |
| Molecular Weight | 254.15181 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.15181 Da |
| Heavy Atoms | 18 |
| Complexity | 361.0 |
| SMILES | CC1CCC2C(C1)C(C(=O)OC2(C)C)C(=O)OC |
| InChIKey | OEAUBIXFHFHULA-UHFFFAOYSA-N |
Chemical Property Profile of methyl 1,1,6-trimethyl-3-oxooctahydro-1H-isochromene-4-carboxylate
Property Insights of methyl 1,1,6-trimethyl-3-oxooctahydro-1H-isochromene-4-carboxylate
The XLogP value of 3.1 indicates that methyl 1,1,6-trimethyl-3-oxooctahydro-1H-isochromene-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, methyl 1,1,6-trimethyl-3-oxooctahydro-1H-isochromene-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1,1,6-trimethyl-3-oxooctahydro-1H-isochromene-4-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl 1,1,6-trimethyl-3-oxooctahydro-1H-isochromene-4-carboxylate?
The CAS number of methyl 1,1,6-trimethyl-3-oxooctahydro-1H-isochromene-4-carboxylate is 1214629-66-9.
What is the molecular formula of methyl 1,1,6-trimethyl-3-oxooctahydro-1H-isochromene-4-carboxylate?
The molecular formula of methyl 1,1,6-trimethyl-3-oxooctahydro-1H-isochromene-4-carboxylate is C14H22O4.
What is the molecular weight of methyl 1,1,6-trimethyl-3-oxooctahydro-1H-isochromene-4-carboxylate?
The molecular weight of methyl 1,1,6-trimethyl-3-oxooctahydro-1H-isochromene-4-carboxylate is 254.15181 g/mol.
Where can I buy methyl 1,1,6-trimethyl-3-oxooctahydro-1H-isochromene-4-carboxylate?
You can request a quote for methyl 1,1,6-trimethyl-3-oxooctahydro-1H-isochromene-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 1,1,6-trimethyl-3-oxooctahydro-1H-isochromene-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 1,1,6-trimethyl-3-oxooctahydro-1H-isochromene-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.