Methyl 10-undecenoate
TL;DR: Methyl 10-undecenoate (CAS 111-81-9) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl undec-10-enoate
Also Known As: Methyl undec-10-enoate, METHYL 10-UNDECENOATE, Methyl undecenate, Methyl undecylenate, Methyl undecenoate
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 198.16199 |
| 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°) |
| Solubility | slightly |
| Refractive Index | 1.436-1.442 |
Chemical Identifiers
| CAS Number | 111-81-9 |
|---|---|
| SMILES | COC(=O)CCCCCCCCC=C |
| InChIKey | KISVAASFGZJBCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 10-undecenoate (CAS 111-81-9), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: methyl undec-10-enoate.
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
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 198.16 g/mol.
Where can I buy Methyl 10-undecenoate?
You can request a quote for Methyl 10-undecenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 10-undecenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 10-undecenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.