TL;DR: 5,6,7,8-Tetrahydro-5,5,7,8,8-pentamethyl-2-naphthalenecarboxaldehyde (CAS 113221-73-1) is a chemical compound with molecular formula C16H22O and molecular weight 230.16707 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,5,7,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbaldehyde
Also Known As: 2-Naphthalenecarboxaldehyde, 5,6,7,8-tetrahydro-5,5,7,8,8-pentamethyl-, J1.558.431I, 5,6,7,8-Tetrahydro-5,5,7,8,8-pentamethyl-2-naphthalenecarboxaldehyde, 5,5,7,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde, 5,5,7,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbaldehyde
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H22O |
| Molecular Weight | 230.16707 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.16707 Da |
| Heavy Atoms | 17 |
| Complexity | 303.0 |
| SMILES | CC1CC(C2=C(C1(C)C)C=C(C=C2)C=O)(C)C |
| InChIKey | IQAZVEUAPIOTDC-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 5,6,7,8-Tetrahydro-5,5,7,8,8-pentamethyl-2-naphthalenecarboxaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 5,6,7,8-Tetrahydro-5,5,7,8,8-pentamethyl-2-naphthalenecarboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,7,8-Tetrahydro-5,5,7,8,8-pentamethyl-2-naphthalenecarboxaldehyde 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 5,6,7,8-Tetrahydro-5,5,7,8,8-pentamethyl-2-naphthalenecarboxaldehyde is 113221-73-1.
The molecular formula of 5,6,7,8-Tetrahydro-5,5,7,8,8-pentamethyl-2-naphthalenecarboxaldehyde is C16H22O.
The molecular weight of 5,6,7,8-Tetrahydro-5,5,7,8,8-pentamethyl-2-naphthalenecarboxaldehyde is 230.16707 g/mol.
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