Octadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
TL;DR: Octadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester (CAS 15196-51-7) is a chemical compound with molecular formula C41H80O4 and molecular weight 636.60565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,2-dimethyl-3-octadecanoyloxypropyl) octadecanoate
Also Known As: Neopentyl Glycol Distearate, 2,2-dimethylpropane-1,3-diyl dioctadecanoate, Octadecanoic acid, 2,2-dimethyl-1,3-propanediyl ester, (2,2-dimethyl-3-octadecanoyloxypropyl) octadecanoate, Dioctadecanoic acid 2,2-dimethyl-1,3-propanediyl ester
Technical Specifications
| Molecular Formula | C41H80O4 |
| Molecular Weight | 636.60565 g/mol |
| XLogP | 18.0 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 38 |
| Exact Mass | 636.60565 Da |
| Heavy Atoms | 45 |
| Complexity | 577.0 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCCCCCCCCCCCC |
| InChIKey | WZZRCFLIGSUOOC-UHFFFAOYSA-N |
Chemical Property Profile of Octadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
Property Insights of Octadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
The XLogP value of 18.0 indicates that Octadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Octadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester 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 Octadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester?
The CAS number of Octadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester is 15196-51-7.
What is the molecular formula of Octadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester?
The molecular formula of Octadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester is C41H80O4.
What is the molecular weight of Octadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester?
The molecular weight of Octadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester is 636.60565 g/mol.
Where can I buy Octadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester?
You can request a quote for Octadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester?
Yes, CoreyChem provides custom synthesis services for Octadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.