2,2-Diethylbutyl acetate
TL;DR: 2,2-Diethylbutyl acetate (CAS 10332-40-8) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-diethylbutyl acetate
Also Known As: 2,2-DIETHYLBUTYL ACETATE, 2,2-diethylbutyl ethanoate, 1-Butanol, 2,2-diethyl-, acetate
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 10332-40-8 |
|---|---|
| SMILES | CCC(CC)(CC)COC(=O)C |
| InChIKey | NITRSTHXNOOPCI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Diethylbutyl acetate (CAS 10332-40-8), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 2,2-diethylbutyl acetate.
Chemical Property Profile of 2,2-Diethylbutyl acetate
Property Insights of 2,2-Diethylbutyl acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Diethylbutyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2-Diethylbutyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Diethylbutyl acetate 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
Frequently Asked Questions
What is the CAS number of 2,2-Diethylbutyl acetate?
The CAS number of 2,2-Diethylbutyl acetate is 10332-40-8.
What is the molecular formula of 2,2-Diethylbutyl acetate?
The molecular formula of 2,2-Diethylbutyl acetate is C10H20O2.
What is the molecular weight of 2,2-Diethylbutyl acetate?
The molecular weight of 2,2-Diethylbutyl acetate is 172.15 g/mol.
Where can I buy 2,2-Diethylbutyl acetate?
You can request a quote for 2,2-Diethylbutyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Diethylbutyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Diethylbutyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.