Octylmethane-tri-(2-oxabutanoic acid)
TL;DR: Octylmethane-tri-(2-oxabutanoic acid) (CAS 142181-63-3) is a chemical compound with molecular formula C18H32O9 and molecular weight 392.20462 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-bis(2-carboxyoxyethyl)undecyl hydrogen carbonate
Also Known As: Octylmethane-tri-(2-oxabutanoic acid), 3,3-bis(2-carboxyoxyethyl)undecyl hydrogen carbonate
Technical Specifications
| Molecular Formula | C18H32O9 |
| Molecular Weight | 392.20462 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Exact Mass | 392.20462 Da |
| Heavy Atoms | 27 |
| Complexity | 386.0 |
| SMILES | CCCCCCCCC(CCOC(=O)O)(CCOC(=O)O)CCOC(=O)O |
| InChIKey | AHYZPIISPVOYJX-UHFFFAOYSA-N |
Chemical Property Profile of Octylmethane-tri-(2-oxabutanoic acid)
Property Insights of Octylmethane-tri-(2-oxabutanoic acid)
The XLogP value of 5.6 indicates that Octylmethane-tri-(2-oxabutanoic acid) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting Octylmethane-tri-(2-oxabutanoic acid) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Octylmethane-tri-(2-oxabutanoic acid) has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Octylmethane-tri-(2-oxabutanoic acid)?
The CAS number of Octylmethane-tri-(2-oxabutanoic acid) is 142181-63-3.
What is the molecular formula of Octylmethane-tri-(2-oxabutanoic acid)?
The molecular formula of Octylmethane-tri-(2-oxabutanoic acid) is C18H32O9.
What is the molecular weight of Octylmethane-tri-(2-oxabutanoic acid)?
The molecular weight of Octylmethane-tri-(2-oxabutanoic acid) is 392.20462 g/mol.
Where can I buy Octylmethane-tri-(2-oxabutanoic acid)?
You can request a quote for Octylmethane-tri-(2-oxabutanoic acid) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octylmethane-tri-(2-oxabutanoic acid)?
Yes, CoreyChem provides custom synthesis services for Octylmethane-tri-(2-oxabutanoic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.