2-(3-Hydroxy-3-methylnonadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
TL;DR: 2-(3-Hydroxy-3-methylnonadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione (CAS 113561-37-8) is a chemical compound with molecular formula C29H50O3 and molecular weight 446.376 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-hydroxy-3-methylnonadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
Also Known As: Vitamin E Impurity 98, 2-(3-Hydroxy-3-methylnonadecyl)-3,5,6-trimethyl-2,5-cyclohexadiene-1,4-dione, 2-(3-hydroxy-3-methylnonadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione, 2,5-Cyclohexadiene-1,4-dione, 2-(3-hydroxy-3-methylnonadecyl)-3,5,6-trimethyl-, 2-(3-Hydroxy-3-hexadecylbutyl)-3,5,6-trimethyl-1,4-benzoquinone
Technical Specifications
| Molecular Formula | C29H50O3 |
| Molecular Weight | 446.376 g/mol |
| XLogP | 9.6 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 446.376 Da |
| Heavy Atoms | 32 |
| Complexity | 655.0 |
| SMILES | CCCCCCCCCCCCCCCCC(C)(CCC1=C(C(=O)C(=C(C1=O)C)C)C)O |
| InChIKey | MMRJMBZSARWOAY-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-Hydroxy-3-methylnonadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
Property Insights of 2-(3-Hydroxy-3-methylnonadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
The XLogP value of 9.6 indicates that 2-(3-Hydroxy-3-methylnonadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 2-(3-Hydroxy-3-methylnonadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Hydroxy-3-methylnonadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-(3-Hydroxy-3-methylnonadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione?
The CAS number of 2-(3-Hydroxy-3-methylnonadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione is 113561-37-8.
What is the molecular formula of 2-(3-Hydroxy-3-methylnonadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione?
The molecular formula of 2-(3-Hydroxy-3-methylnonadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione is C29H50O3.
What is the molecular weight of 2-(3-Hydroxy-3-methylnonadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione?
The molecular weight of 2-(3-Hydroxy-3-methylnonadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione is 446.376 g/mol.
Where can I buy 2-(3-Hydroxy-3-methylnonadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione?
You can request a quote for 2-(3-Hydroxy-3-methylnonadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Hydroxy-3-methylnonadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione?
Yes, CoreyChem provides custom synthesis services for 2-(3-Hydroxy-3-methylnonadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.