2-Undecanone
TL;DR: 2-Undecanone (CAS 112-12-9) is a chemical compound with molecular formula C11H22O and molecular weight 170.16707 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
undecan-2-one
Also Known As: 2-Undecanone, Undecan-2-one, Methyl nonyl ketone, 2-Hendecanone, Rue ketone
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H22O |
| Molecular Weight | 170.16707 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 170.16707 Da |
| Heavy Atoms | 12 |
| Complexity | 108.0 |
| Melting Point | 15 °C |
| Boiling Point | 231.5 °C |
| Density | 0.8260 to 0.8263 at 20 °C/4 °C |
| Flash Point | 192 °F (89 °C) (Closed cup) |
| Vapor Pressure | 0.04 [mmHg] |
| Refractive Index | Index of refraction = 1.4291 at 20 °C/D |
| Solubility | Insoluble in water. Soluble in ethanol, ether, acetone, benzene, carbon tetrachloride, chloroform. |
| SMILES | CCCCCCCCCC(=O)C |
| InChIKey | KYWIYKKSMDLRDC-UHFFFAOYSA-N |
Chemical Property Profile of 2-Undecanone
Property Insights of 2-Undecanone
The XLogP value of 4.1 indicates that 2-Undecanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Undecanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Undecanone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Undecanone?
The CAS number of 2-Undecanone is 112-12-9.
What is the molecular formula of 2-Undecanone?
The molecular formula of 2-Undecanone is C11H22O.
What is the molecular weight of 2-Undecanone?
The molecular weight of 2-Undecanone is 170.16707 g/mol.
Where can I buy 2-Undecanone?
You can request a quote for 2-Undecanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Undecanone?
Yes, CoreyChem provides custom synthesis services for 2-Undecanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.