2-Hydroxypropan-2-yl 2-ethylhexanoate
TL;DR: 2-Hydroxypropan-2-yl 2-ethylhexanoate (CAS 58921-10-1) is a chemical compound with molecular formula C11H22O3 and molecular weight 202.15689 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxypropan-2-yl 2-ethylhexanoate
Also Known As: 2-Hydroxypropyl 2-ethylhexanoate, 2-hydroxypropan-2-yl 2-ethylhexanoate, Hexanoic acid, 2-ethyl-, 2-hydroxypropyl ester
Technical Specifications
| Molecular Formula | C11H22O3 |
| Molecular Weight | 202.15689 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 202.15689 Da |
| Heavy Atoms | 14 |
| Complexity | 175.0 |
| SMILES | CCCCC(CC)C(=O)OC(C)(C)O |
| InChIKey | OJSCCSYZICWHKC-UHFFFAOYSA-N |
Chemical Property Profile of 2-Hydroxypropan-2-yl 2-ethylhexanoate
Property Insights of 2-Hydroxypropan-2-yl 2-ethylhexanoate
The XLogP value of 3.0 indicates that 2-Hydroxypropan-2-yl 2-ethylhexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 2-Hydroxypropan-2-yl 2-ethylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxypropan-2-yl 2-ethylhexanoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Hydroxypropan-2-yl 2-ethylhexanoate?
The CAS number of 2-Hydroxypropan-2-yl 2-ethylhexanoate is 58921-10-1.
What is the molecular formula of 2-Hydroxypropan-2-yl 2-ethylhexanoate?
The molecular formula of 2-Hydroxypropan-2-yl 2-ethylhexanoate is C11H22O3.
What is the molecular weight of 2-Hydroxypropan-2-yl 2-ethylhexanoate?
The molecular weight of 2-Hydroxypropan-2-yl 2-ethylhexanoate is 202.15689 g/mol.
Where can I buy 2-Hydroxypropan-2-yl 2-ethylhexanoate?
You can request a quote for 2-Hydroxypropan-2-yl 2-ethylhexanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Hydroxypropan-2-yl 2-ethylhexanoate?
Yes, CoreyChem provides custom synthesis services for 2-Hydroxypropan-2-yl 2-ethylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.