TL;DR: 3,3,6,6,9-pentamethyl-6a,7,8,9,10,10a-hexahydro-[1,3]dioxino[4,5-c]isochromen-1(6H)-one (CAS 1212108-51-4) is a chemical compound with molecular formula C16H24O4 and molecular weight 280.16745 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3,6,6,9-pentamethyl-6a,7,8,9,10,10a-hexahydro-[1,3]dioxino[4,5-c]isochromen-1-one
Also Known As: 3,3,6,6,9-pentamethyl-6a,7,8,9,10,10a-hexahydro-[1,3]dioxino[4,5-c]isochromen-1(6H)-one, 3,3,6,6,9-pentamethyl-6a,7,8,9,10,10a-hexahydro-[1,3]dioxino[4,5-c]isochromen-1-one, 3,3,6,6,9-pentamethyl-6a,7,8,9,10,10a-hexahydro-1H,6H-[1,3]dioxino[4,5-c]isochromen-1-one
| Molecular Formula | C16H24O4 |
| Molecular Weight | 280.16745 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 280.16745 Da |
| Heavy Atoms | 20 |
| Complexity | 475.0 |
| SMILES | CC1CCC2C(C1)C3=C(OC2(C)C)OC(OC3=O)(C)C |
| InChIKey | GOPFHADIDRZFKC-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 3,3,6,6,9-pentamethyl-6a,7,8,9,10,10a-hexahydro-[1,3]dioxino[4,5-c]isochromen-1(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 3,3,6,6,9-pentamethyl-6a,7,8,9,10,10a-hexahydro-[1,3]dioxino[4,5-c]isochromen-1(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,6,6,9-pentamethyl-6a,7,8,9,10,10a-hexahydro-[1,3]dioxino[4,5-c]isochromen-1(6H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3,3,6,6,9-pentamethyl-6a,7,8,9,10,10a-hexahydro-[1,3]dioxino[4,5-c]isochromen-1(6H)-one is 1212108-51-4.
The molecular formula of 3,3,6,6,9-pentamethyl-6a,7,8,9,10,10a-hexahydro-[1,3]dioxino[4,5-c]isochromen-1(6H)-one is C16H24O4.
The molecular weight of 3,3,6,6,9-pentamethyl-6a,7,8,9,10,10a-hexahydro-[1,3]dioxino[4,5-c]isochromen-1(6H)-one is 280.16745 g/mol.
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