TL;DR: 1,6-Ethenoazulene, 1,3a,6,8a-tetrahydro- (CAS 15991-78-3) is a chemical compound with molecular formula C12H12 and molecular weight 156.0939 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tricyclo[5.3.2.04,8]dodeca-2,5,9,11-tetraene
Also Known As: 1,6-Ethenoazulene, 1,3a,6,8a-tetrahydro-, 1,3a,6,8a-Tetrahydro-1,6-ethenoazulene, tricyclo[5.3.2.04,8]dodeca-2,5,9,11-tetraene
| Molecular Formula | C12H12 |
| Molecular Weight | 156.0939 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.0939 Da |
| Heavy Atoms | 12 |
| Complexity | 280.0 |
| SMILES | C1=CC2C=CC3C2C=CC1C=C3 |
| InChIKey | PSJQPLRDBCYSFI-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 1,6-Ethenoazulene, 1,3a,6,8a-tetrahydro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,6-Ethenoazulene, 1,3a,6,8a-tetrahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-Ethenoazulene, 1,3a,6,8a-tetrahydro- 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 1,6-Ethenoazulene, 1,3a,6,8a-tetrahydro- is 15991-78-3.
The molecular formula of 1,6-Ethenoazulene, 1,3a,6,8a-tetrahydro- is C12H12.
The molecular weight of 1,6-Ethenoazulene, 1,3a,6,8a-tetrahydro- is 156.0939 g/mol.
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