TL;DR: Dehydronerolidol (CAS 54325-12-1) is a chemical compound with molecular formula C15H24O and molecular weight 220.18271 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol
Also Known As: Dehydronerolidol, 3,7,11-Trimethyldodeca-6,10-dien-1-yn-3-ol, 6,10-Dodecadien-1-yn-3-ol, 3,7,11-trimethyl-, AI3-25087, EC 259-104-1
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H24O |
| Molecular Weight | 220.18271 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 220.18271 Da |
| Heavy Atoms | 16 |
| Complexity | 310.0 |
| SMILES | CC(=CCCC(=CCCC(C)(C#C)O)C)C |
| InChIKey | ZNVPGYAGXVEAFP-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that Dehydronerolidol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Dehydronerolidol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dehydronerolidol has 1 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 Dehydronerolidol is 54325-12-1.
The molecular formula of Dehydronerolidol is C15H24O.
The molecular weight of Dehydronerolidol is 220.18271 g/mol.
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