4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one
TL;DR: 4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one (CAS 36151-02-7) is a chemical compound with molecular formula C13H22O2 and molecular weight 210.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one
Also Known As: Blumenol C, 4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one, 3-Oxo-7,8-dihydro-.alpha.-ionol, (9R)-9-Hydroxy-4-megastigmen-3-one, 4-(3-hydroxybutyl)-3,5,5-trimethyl-cyclohex-2-en-1-one
Technical Specifications
| Molecular Formula | C13H22O2 |
| Molecular Weight | 210.16199 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.16199 Da |
| Heavy Atoms | 15 |
| Complexity | 276.0 |
| SMILES | CC1=CC(=O)CC(C1CCC(C)O)(C)C |
| InChIKey | UEEJDIUOCUCVHN-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one
Property Insights of 4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one. With a topological polar surface area (TPSA) of 37.3 Ų, 4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one 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 4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one?
The CAS number of 4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one is 36151-02-7.
What is the molecular formula of 4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one?
The molecular formula of 4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one is C13H22O2.
What is the molecular weight of 4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one?
The molecular weight of 4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one is 210.16199 g/mol.
Where can I buy 4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one?
You can request a quote for 4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.