Methyl 2-nonynoate
TL;DR: Methyl 2-nonynoate (CAS 111-80-8) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl non-2-ynoate
Also Known As: Methyl 2-nonynoate, Methyl non-2-ynoate, Methyl octine carbonate, Methyloctyne carbonate, Methyl octyne carbonate
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
| Boiling Point | 121.00 to 122.00 °C. @ 20.00 mm Hg |
| Density | 0.913-0.916 |
| Solubility | Soluble in oils; Insoluble in water |
| Refractive Index | 1.445-1.451 |
Chemical Identifiers
| CAS Number | 111-80-8 |
|---|---|
| SMILES | CCCCCCC#CC(=O)OC |
| InChIKey | NTLJTUMJJWVCTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-nonynoate (CAS 111-80-8), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: methyl non-2-ynoate.
Chemical Property Profile of Methyl 2-nonynoate
Property Insights of Methyl 2-nonynoate
The XLogP value of 3.7 indicates that Methyl 2-nonynoate 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-nonynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-nonynoate 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-nonynoate?
The CAS number of Methyl 2-nonynoate is 111-80-8.
What is the molecular formula of Methyl 2-nonynoate?
The molecular formula of Methyl 2-nonynoate is C10H16O2.
What is the molecular weight of Methyl 2-nonynoate?
The molecular weight of Methyl 2-nonynoate is 168.12 g/mol.
Where can I buy Methyl 2-nonynoate?
You can request a quote for Methyl 2-nonynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-nonynoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-nonynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.