2,2-Dimethylpentyl 2-methylpropanoate
TL;DR: 2,2-Dimethylpentyl 2-methylpropanoate (CAS 6317-46-0) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpentyl 2-methylpropanoate
Also Known As: 2,2-dimethylpentyl 2-methylpropanoate, Propanoic acid,2-methyl-,2,2-dimethylpentyl ester, Propanoic acid,2-methyl-, 2,2-dimethylpentyl ester
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 6317-46-0 |
|---|---|
| SMILES | CCCC(C)(C)COC(=O)C(C)C |
| InChIKey | MZDAMTAEZINYBF-UHFFFAOYSA-N |
Product Overview
2,2-Dimethylpentyl 2-methylpropanoate (CAS 6317-46-0), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: 2,2-dimethylpentyl 2-methylpropanoate.
Chemical Property Profile of 2,2-Dimethylpentyl 2-methylpropanoate
Property Insights of 2,2-Dimethylpentyl 2-methylpropanoate
The XLogP value of 3.8 indicates that 2,2-Dimethylpentyl 2-methylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2-Dimethylpentyl 2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethylpentyl 2-methylpropanoate 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-Dimethylpentyl 2-methylpropanoate?
The CAS number of 2,2-Dimethylpentyl 2-methylpropanoate is 6317-46-0.
What is the molecular formula of 2,2-Dimethylpentyl 2-methylpropanoate?
The molecular formula of 2,2-Dimethylpentyl 2-methylpropanoate is C11H22O2.
What is the molecular weight of 2,2-Dimethylpentyl 2-methylpropanoate?
The molecular weight of 2,2-Dimethylpentyl 2-methylpropanoate is 186.16 g/mol.
Where can I buy 2,2-Dimethylpentyl 2-methylpropanoate?
You can request a quote for 2,2-Dimethylpentyl 2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethylpentyl 2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethylpentyl 2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.