2-Octyldecyl 13-octadecanoyloxyoctadecanoate
TL;DR: 2-Octyldecyl 13-octadecanoyloxyoctadecanoate (CAS 100258-46-6) is a chemical compound with molecular formula C54H106O4 and molecular weight 818.8091 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-octyldecyl 13-octadecanoyloxyoctadecanoate
Also Known As: 2-octyldecyl 13-octadecanoyloxyoctadecanoate, 2-Octyldecyl 12-((1-oxooctadecyl)oxy)octadecanoate, 2-OCTYLDECYL 12-[(1-OXOOCTADECYL)OXY]OCTADECANOATE, 2-OCTYLDECYL 13-(OCTADECANOYLOXY)OCTADECANOATE, EINECS 309-391-5
Technical Specifications
| Molecular Formula | C54H106O4 |
| Molecular Weight | 818.8091 g/mol |
| XLogP | 24.2 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 51 |
| Exact Mass | 818.8091 Da |
| Heavy Atoms | 58 |
| Complexity | 795.0 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCC |
| InChIKey | XQZLMYBZXANOLH-UHFFFAOYSA-N |
Chemical Property Profile of 2-Octyldecyl 13-octadecanoyloxyoctadecanoate
Property Insights of 2-Octyldecyl 13-octadecanoyloxyoctadecanoate
The XLogP value of 24.2 indicates that 2-Octyldecyl 13-octadecanoyloxyoctadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Octyldecyl 13-octadecanoyloxyoctadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Octyldecyl 13-octadecanoyloxyoctadecanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-Octyldecyl 13-octadecanoyloxyoctadecanoate?
The CAS number of 2-Octyldecyl 13-octadecanoyloxyoctadecanoate is 100258-46-6.
What is the molecular formula of 2-Octyldecyl 13-octadecanoyloxyoctadecanoate?
The molecular formula of 2-Octyldecyl 13-octadecanoyloxyoctadecanoate is C54H106O4.
What is the molecular weight of 2-Octyldecyl 13-octadecanoyloxyoctadecanoate?
The molecular weight of 2-Octyldecyl 13-octadecanoyloxyoctadecanoate is 818.8091 g/mol.
Where can I buy 2-Octyldecyl 13-octadecanoyloxyoctadecanoate?
You can request a quote for 2-Octyldecyl 13-octadecanoyloxyoctadecanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Octyldecyl 13-octadecanoyloxyoctadecanoate?
Yes, CoreyChem provides custom synthesis services for 2-Octyldecyl 13-octadecanoyloxyoctadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.