TL;DR: Nerolidol (CAS 1126-56-3) is a chemical compound with molecular formula C15H26O and molecular weight 222.19836 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
Also Known As: NEROLIDOL, trans-Nerolidol, Peruviol, Stirrup, nerodilol
| Molecular Formula | C15H26O |
| Molecular Weight | 222.19836 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 222.19836 Da |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
| SMILES | CC(=CCC/C(=C/CCC(C)(C=C)O)/C)C |
| InChIKey | FQTLCLSUCSAZDY-SDNWHVSQSA-N |
The XLogP value of 4.6 indicates that Nerolidol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Nerolidol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nerolidol 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 Nerolidol is 1126-56-3.
The molecular formula of Nerolidol is C15H26O.
The molecular weight of Nerolidol is 222.19836 g/mol.
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