Methyl 10-undecenoate
TL;DR: Methyl 10-undecenoate (CAS 111-81-9) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl undec-10-enoate
Also Known As: Methyl undec-10-enoate, METHYL 10-UNDECENOATE, Methyl undecenate, Methyl undecylenate, Methyl undecenoate
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H22O2 |
| Molecular Weight | 198.16199 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 198.16199 Da |
| Heavy Atoms | 14 |
| Complexity | 152.0 |
| Melting Point | 27.5 °C |
| Boiling Point | 245.00 to 248.00 °C. @ 760.00 mm Hg |
| Density | 0.885-0.891 (20°) |
| Refractive Index | 1.436-1.442 |
| Solubility | slightly |
| SMILES | COC(=O)CCCCCCCCC=C |
| InChIKey | KISVAASFGZJBCY-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 10-undecenoate
Property Insights of Methyl 10-undecenoate
The XLogP value of 4.2 indicates that Methyl 10-undecenoate 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 10-undecenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 10-undecenoate 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
What is the CAS number of Methyl 10-undecenoate?
The CAS number of Methyl 10-undecenoate is 111-81-9.
What is the molecular formula of Methyl 10-undecenoate?
The molecular formula of Methyl 10-undecenoate is C12H22O2.
What is the molecular weight of Methyl 10-undecenoate?
The molecular weight of Methyl 10-undecenoate is 198.16199 g/mol.
Where can I buy Methyl 10-undecenoate?
You can request a quote for Methyl 10-undecenoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 10-undecenoate?
Yes, CoreyChem provides custom synthesis services for Methyl 10-undecenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.