TL;DR: 6-Tridecanone (CAS 22026-12-6) is a chemical compound with molecular formula C13H26O and molecular weight 198.19836 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tridecan-6-one
Also Known As: 6-Tridecanone, Tridecan-6-one, Tridecan6one, 8-Tridecanone, Tridecan-6-on
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H26O |
| Molecular Weight | 198.19836 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 10 |
| Exact Mass | 198.19836 Da |
| Heavy Atoms | 14 |
| Complexity | 129.0 |
| SMILES | CCCCCCCC(=O)CCCCC |
| InChIKey | KPVFRXPKBAAIIE-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 6-Tridecanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 6-Tridecanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Tridecanone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6-Tridecanone is 22026-12-6.
The molecular formula of 6-Tridecanone is C13H26O.
The molecular weight of 6-Tridecanone is 198.19836 g/mol.
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