Methyl 2,2-dimethyloctanoate
TL;DR: Methyl 2,2-dimethyloctanoate (CAS 14250-74-9) 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.
methyl 2,2-dimethyloctanoate
Also Known As: Methyl 2,2-dimethyloctanoate, 2,2-Dimethyloctanoic acid methyl ester, Octanoic acid, 2,2-dimethyl, methyl ester, Octanoic acid, 2,2-dimethyl-, methyl ester, EINECS 238-123-9
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 14250-74-9 |
|---|---|
| SMILES | CCCCCCC(C)(C)C(=O)OC |
| InChIKey | BAKOMPNQDRRCQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2,2-dimethyloctanoate (CAS 14250-74-9), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: methyl 2,2-dimethyloctanoate.
Chemical Property Profile of Methyl 2,2-dimethyloctanoate
Property Insights of Methyl 2,2-dimethyloctanoate
The XLogP value of 4.0 indicates that Methyl 2,2-dimethyloctanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2,2-dimethyloctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,2-dimethyloctanoate 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 Methyl 2,2-dimethyloctanoate?
The CAS number of Methyl 2,2-dimethyloctanoate is 14250-74-9.
What is the molecular formula of Methyl 2,2-dimethyloctanoate?
The molecular formula of Methyl 2,2-dimethyloctanoate is C11H22O2.
What is the molecular weight of Methyl 2,2-dimethyloctanoate?
The molecular weight of Methyl 2,2-dimethyloctanoate is 186.16 g/mol.
Where can I buy Methyl 2,2-dimethyloctanoate?
You can request a quote for Methyl 2,2-dimethyloctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,2-dimethyloctanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,2-dimethyloctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.