2-Ethyl-1,3-butanediol
TL;DR: 2-Ethyl-1,3-butanediol (CAS 66553-17-1) is a chemical compound with molecular formula C6H14O2 and molecular weight 118.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylbutane-1,3-diol
Also Known As: 2-Ethyl-1,3-butanediol, 2-Aethylbutanediol-1,3, 2-ethylbutane-1,3-diol, 1,3-BUTANEDIOL, 2-ETHYL-, 2-Aethylbutanediol-1,3 [German]
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H14O2 |
| Molecular Weight | 118.09938 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 118.09938 Da |
| Heavy Atoms | 8 |
| Complexity | 54.0 |
| SMILES | CCC(CO)C(C)O |
| InChIKey | JULNEFHJBRHDSM-UHFFFAOYSA-N |
Chemical Property Profile of 2-Ethyl-1,3-butanediol
Property Insights of 2-Ethyl-1,3-butanediol
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-1,3-butanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 2-Ethyl-1,3-butanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-1,3-butanediol 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-Ethyl-1,3-butanediol?
The CAS number of 2-Ethyl-1,3-butanediol is 66553-17-1.
What is the molecular formula of 2-Ethyl-1,3-butanediol?
The molecular formula of 2-Ethyl-1,3-butanediol is C6H14O2.
What is the molecular weight of 2-Ethyl-1,3-butanediol?
The molecular weight of 2-Ethyl-1,3-butanediol is 118.09938 g/mol.
Where can I buy 2-Ethyl-1,3-butanediol?
You can request a quote for 2-Ethyl-1,3-butanediol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethyl-1,3-butanediol?
Yes, CoreyChem provides custom synthesis services for 2-Ethyl-1,3-butanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.