TL;DR: Tricyclo(3.3.1.13,7)decane-1-carboxylic acid, tricyclo(3.3.1.13,7)dec-1-yl ester (CAS 16269-10-6) is a chemical compound with molecular formula C21H30O2 and molecular weight 314.22458 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-adamantyl adamantane-1-carboxylate
Also Known As: 1-adamantyl adamantane-1-carboxylate, Adamantane-1-carboxylic acid 1-adamantyl ester, J1.684.102A, ADAMANTAN-1-YL ADAMANTANE-1-CARBOXYLATE, (3r)-adamantan-1-yl (3r)-adamantane-1-carboxylate
| Molecular Formula | C21H30O2 |
| Molecular Weight | 314.22458 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.22458 Da |
| Heavy Atoms | 23 |
| Complexity | 465.0 |
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)OC45CC6CC(C4)CC(C6)C5 |
| InChIKey | QJTBLDVEALXXJV-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that Tricyclo(3.3.1.13,7)decane-1-carboxylic acid, tricyclo(3.3.1.13,7)dec-1-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Tricyclo(3.3.1.13,7)decane-1-carboxylic acid, tricyclo(3.3.1.13,7)dec-1-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tricyclo(3.3.1.13,7)decane-1-carboxylic acid, tricyclo(3.3.1.13,7)dec-1-yl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Tricyclo(3.3.1.13,7)decane-1-carboxylic acid, tricyclo(3.3.1.13,7)dec-1-yl ester is 16269-10-6.
The molecular formula of Tricyclo(3.3.1.13,7)decane-1-carboxylic acid, tricyclo(3.3.1.13,7)dec-1-yl ester is C21H30O2.
The molecular weight of Tricyclo(3.3.1.13,7)decane-1-carboxylic acid, tricyclo(3.3.1.13,7)dec-1-yl ester is 314.22458 g/mol.
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