Butane, 2,2-diethoxy-
TL;DR: Butane, 2,2-diethoxy- (CAS 52752-16-6) 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.
2,2-diethoxybutane
Also Known As: 2,2-Diethoxybutane, Butane, 2,2-diethoxy-, 2-Butanone diethyl acetal, butanone diethyl acetal, 2-Butanonediethylacetal
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 | 1.9 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.13068 Da |
| Heavy Atoms | 10 |
| Complexity | 75.0 |
| SMILES | CCC(C)(OCC)OCC |
| InChIKey | JKUNNIMQUQJDKW-UHFFFAOYSA-N |
Chemical Property Profile of Butane, 2,2-diethoxy-
Property Insights of Butane, 2,2-diethoxy-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butane, 2,2-diethoxy-. With a topological polar surface area (TPSA) of 18.5 Ų, Butane, 2,2-diethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butane, 2,2-diethoxy- has 0 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 Butane, 2,2-diethoxy-?
The CAS number of Butane, 2,2-diethoxy- is 52752-16-6.
What is the molecular formula of Butane, 2,2-diethoxy-?
The molecular formula of Butane, 2,2-diethoxy- is C8H18O2.
What is the molecular weight of Butane, 2,2-diethoxy-?
The molecular weight of Butane, 2,2-diethoxy- is 146.13068 g/mol.
Where can I buy Butane, 2,2-diethoxy-?
You can request a quote for Butane, 2,2-diethoxy- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butane, 2,2-diethoxy-?
Yes, CoreyChem provides custom synthesis services for Butane, 2,2-diethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.