3-Oxo-alpha-ionol
TL;DR: 3-Oxo-alpha-ionol (CAS 110114-85-7) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.14633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
Also Known As: 3-Oxo-alpha-ionol, trans-3-Oxo-alpha-ionol, 3-Oxo-.alpha.-ionol, 2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-, 4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
Technical Specifications
| Molecular Formula | C13H20O2 |
| Molecular Weight | 208.14633 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.14633 Da |
| Heavy Atoms | 15 |
| Complexity | 310.0 |
| SMILES | CC1=CC(=O)CC(C1/C=C/C(C)O)(C)C |
| InChIKey | MDCGEAGEQVMWPE-AATRIKPKSA-N |
Chemical Property Profile of 3-Oxo-alpha-ionol
Property Insights of 3-Oxo-alpha-ionol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-alpha-ionol. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Oxo-alpha-ionol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-alpha-ionol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Oxo-alpha-ionol?
The CAS number of 3-Oxo-alpha-ionol is 110114-85-7.
What is the molecular formula of 3-Oxo-alpha-ionol?
The molecular formula of 3-Oxo-alpha-ionol is C13H20O2.
What is the molecular weight of 3-Oxo-alpha-ionol?
The molecular weight of 3-Oxo-alpha-ionol is 208.14633 g/mol.
Where can I buy 3-Oxo-alpha-ionol?
You can request a quote for 3-Oxo-alpha-ionol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Oxo-alpha-ionol?
Yes, CoreyChem provides custom synthesis services for 3-Oxo-alpha-ionol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.