TL;DR: 2H-1,4a-Ethanonaphthalen-6(5H)-one, hexahydro-1,5,8a-trimethyl- (CAS 67814-48-6) is a chemical compound with molecular formula C15H24O and molecular weight 220.18271 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6,7-trimethyltricyclo[5.3.2.01,6]dodecan-3-one
Also Known As: 1,2,6-Trimethyltricyclo(5.3.2.02.7)-dodecan-5-one, 2H-1,4a-Ethanonaphthalen-6(5H)-one, hexahydro-1,5,8a-trimethyl-, 2,6,7-trimethyltricyclo[5.3.2.01,6]dodecan-3-one, 1,2,6-Trimethyltricyclo[5.3.2.02,7]dodecan-5-one, 1,5,8a-Trimethylhexahydro-2H-1,4a-ethanonaphthalen-6(5H)-one
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H24O |
| Molecular Weight | 220.18271 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.18271 Da |
| Heavy Atoms | 16 |
| Complexity | 347.0 |
| SMILES | CC1C(=O)CCC2(C13CCCC2(CC3)C)C |
| InChIKey | JQHYUGVPUKWTMN-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 2H-1,4a-Ethanonaphthalen-6(5H)-one, hexahydro-1,5,8a-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2H-1,4a-Ethanonaphthalen-6(5H)-one, hexahydro-1,5,8a-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4a-Ethanonaphthalen-6(5H)-one, hexahydro-1,5,8a-trimethyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2H-1,4a-Ethanonaphthalen-6(5H)-one, hexahydro-1,5,8a-trimethyl- is 67814-48-6.
The molecular formula of 2H-1,4a-Ethanonaphthalen-6(5H)-one, hexahydro-1,5,8a-trimethyl- is C15H24O.
The molecular weight of 2H-1,4a-Ethanonaphthalen-6(5H)-one, hexahydro-1,5,8a-trimethyl- is 220.18271 g/mol.
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