2-Ethylhexane-1,4-diol
TL;DR: 2-Ethylhexane-1,4-diol (CAS 148904-97-6) is a chemical compound with molecular formula C8H18O2 and molecular weight 146.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylhexane-1,4-diol
Also Known As: 2-ethylhexane-1,4-diol, 2-ethyl-1,4-hexanediol
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H18O2 |
| Molecular Weight | 146.13068 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.13068 Da |
| Heavy Atoms | 10 |
| Complexity | 73.0 |
| SMILES | CCC(CC(CC)O)CO |
| InChIKey | NKUSBXAXENGEJW-UHFFFAOYSA-N |
Chemical Property Profile of 2-Ethylhexane-1,4-diol
Property Insights of 2-Ethylhexane-1,4-diol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylhexane-1,4-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 2-Ethylhexane-1,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexane-1,4-diol has 2 hydrogen bond donor(s) and 2 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-Ethylhexane-1,4-diol?
The CAS number of 2-Ethylhexane-1,4-diol is 148904-97-6.
What is the molecular formula of 2-Ethylhexane-1,4-diol?
The molecular formula of 2-Ethylhexane-1,4-diol is C8H18O2.
What is the molecular weight of 2-Ethylhexane-1,4-diol?
The molecular weight of 2-Ethylhexane-1,4-diol is 146.13068 g/mol.
Where can I buy 2-Ethylhexane-1,4-diol?
You can request a quote for 2-Ethylhexane-1,4-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethylhexane-1,4-diol?
Yes, CoreyChem provides custom synthesis services for 2-Ethylhexane-1,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.