TL;DR: Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1S,4E,9R)- (CAS 10579-93-8) is a chemical compound with molecular formula C15H24 and molecular weight 204.1878 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,4Z,9R)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
Also Known As: Isocaryophyllene, BETA-CARYOPHYLLENE, (-)-ISOCARYOPHYLLENE, EINECS 234-173-0, C15-H24
| Molecular Formula | C15H24 |
| Molecular Weight | 204.1878 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.1878 Da |
| Heavy Atoms | 15 |
| Complexity | 293.0 |
| SMILES | C/C/1=C/CCC(=C)[C@@H]2CC([C@H]2CC1)(C)C |
| InChIKey | NPNUFJAVOOONJE-BJLYVFBQSA-N |
The XLogP value of 4.4 indicates that Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1S,4E,9R)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1S,4E,9R)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1S,4E,9R)- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1S,4E,9R)- is 10579-93-8.
The molecular formula of Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1S,4E,9R)- is C15H24.
The molecular weight of Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1S,4E,9R)- is 204.1878 g/mol.
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