TL;DR: 2-(3,3,7-Trimethyl-8-tricyclo[5.4.0.02,9]undecanylidene)ethyl acetate (CAS 27530-63-8) is a chemical compound with molecular formula C18H28O2 and molecular weight 276.20892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanylidene)ethyl acetate
Also Known As: Acetoxymethyllongifolene, [1S-(1alpha,3abeta,4alpha,8abeta)]-2-(decahydro-4,8,8-trimethyl-1,4-methanoazulen-9-ylidene)ethyl acetate, 1,4-Methanoazulene-.delta.9,.beta.-ethanol, 1,2,3,3a,4,5,6,7,8,8a-decahydro-4,8,8-trimethyl-, acetate, Ethanol, 2-((1S,3aR,4S,8aR)-decahydro-4,8,8-trimethyl-1,4-methanoazulen-9-ylidene)-, 1-acetate, Ethanol, 2-((1S,3aR,4S,8aR)-decahydro-4,8,8-trimethyl-1,4-methanoazulen-9-ylidene)-, acetate
| Molecular Formula | C18H28O2 |
| Molecular Weight | 276.20892 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.20892 Da |
| Heavy Atoms | 20 |
| Complexity | 448.0 |
| SMILES | CC(=O)OCC=C1C2CCC3C2C(CCCC31C)(C)C |
| InChIKey | GKYMEBBVOZBYSE-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 2-(3,3,7-Trimethyl-8-tricyclo[5.4.0.02,9]undecanylidene)ethyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-(3,3,7-Trimethyl-8-tricyclo[5.4.0.02,9]undecanylidene)ethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,3,7-Trimethyl-8-tricyclo[5.4.0.02,9]undecanylidene)ethyl acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(3,3,7-Trimethyl-8-tricyclo[5.4.0.02,9]undecanylidene)ethyl acetate is 27530-63-8.
The molecular formula of 2-(3,3,7-Trimethyl-8-tricyclo[5.4.0.02,9]undecanylidene)ethyl acetate is C18H28O2.
The molecular weight of 2-(3,3,7-Trimethyl-8-tricyclo[5.4.0.02,9]undecanylidene)ethyl acetate is 276.20892 g/mol.
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