TL;DR: 7,7-Dimethyl-4-(2-phenylmethoxyethyl)bicyclo(3.1.1)hept-3-ene (CAS 74851-17-5) is a chemical compound with molecular formula C18H24O and molecular weight 256.1827 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,6-dimethyl-2-(2-phenylmethoxyethyl)bicyclo[3.1.1]hept-2-ene
Also Known As: (1R)-(-)-Nopol benzyl ether, 10-(Benzyloxymethyl)pina-2-ene, 7,7-Dimethyl-4-(2-phenylmethoxyethyl)bicyclo(3.1.1)hept-3-ene, J2.305.733F, 6,6-dimethyl-2-(2-phenylmethoxyethyl)bicyclo[3.1.1]hept-2-ene
| Molecular Formula | C18H24O |
| Molecular Weight | 256.1827 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.1827 Da |
| Heavy Atoms | 19 |
| Complexity | 336.0 |
| SMILES | CC1(C2CC=C(C1C2)CCOCC3=CC=CC=C3)C |
| InChIKey | VZTCOMJNYWLOOB-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 7,7-Dimethyl-4-(2-phenylmethoxyethyl)bicyclo(3.1.1)hept-3-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 7,7-Dimethyl-4-(2-phenylmethoxyethyl)bicyclo(3.1.1)hept-3-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,7-Dimethyl-4-(2-phenylmethoxyethyl)bicyclo(3.1.1)hept-3-ene 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 7,7-Dimethyl-4-(2-phenylmethoxyethyl)bicyclo(3.1.1)hept-3-ene is 74851-17-5.
The molecular formula of 7,7-Dimethyl-4-(2-phenylmethoxyethyl)bicyclo(3.1.1)hept-3-ene is C18H24O.
The molecular weight of 7,7-Dimethyl-4-(2-phenylmethoxyethyl)bicyclo(3.1.1)hept-3-ene is 256.1827 g/mol.
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