Methyl 2-methylideneoctanoate
TL;DR: Methyl 2-methylideneoctanoate (CAS 3618-40-4) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methylideneoctanoate
Also Known As: methyl 2-methylideneoctanoate, Methyl 2-hexyl acrylate, 2-Methyleneoctanoic acid methyl ester, methyl2-methylideneoctanoate, Octanoic acid, 2-methylene-, methyl ester
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 3618-40-4 |
|---|---|
| SMILES | CCCCCCC(=C)C(=O)OC |
| InChIKey | PXISPLICAYMBBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-methylideneoctanoate (CAS 3618-40-4), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: methyl 2-methylideneoctanoate.
Chemical Property Profile of Methyl 2-methylideneoctanoate
Property Insights of Methyl 2-methylideneoctanoate
The XLogP value of 3.7 indicates that Methyl 2-methylideneoctanoate 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-methylideneoctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-methylideneoctanoate 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-methylideneoctanoate?
The CAS number of Methyl 2-methylideneoctanoate is 3618-40-4.
What is the molecular formula of Methyl 2-methylideneoctanoate?
The molecular formula of Methyl 2-methylideneoctanoate is C10H18O2.
What is the molecular weight of Methyl 2-methylideneoctanoate?
The molecular weight of Methyl 2-methylideneoctanoate is 170.13 g/mol.
Where can I buy Methyl 2-methylideneoctanoate?
You can request a quote for Methyl 2-methylideneoctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-methylideneoctanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-methylideneoctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.