2-Methyl-5-undecanone
TL;DR: 2-Methyl-5-undecanone (CAS 50639-02-6) is a chemical compound with molecular formula C12H24O and molecular weight 184.18271 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylundecan-5-one
Also Known As: 2-METHYL-5-UNDECANONE, 2-methylundecan-5-one, 5-Undecanone, 2-methyl-, Hexylisopentyl ketone, ISOPENTYLHEXYL KETONE
Technical Specifications
| Molecular Formula | C12H24O |
| Molecular Weight | 184.18271 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 184.18271 Da |
| Heavy Atoms | 13 |
| Complexity | 127.0 |
| SMILES | CCCCCCC(=O)CCC(C)C |
| InChIKey | JLTHSCDXCKBHCZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methyl-5-undecanone
Property Insights of 2-Methyl-5-undecanone
The XLogP value of 4.0 indicates that 2-Methyl-5-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-Methyl-5-undecanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-5-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-Methyl-5-undecanone?
The CAS number of 2-Methyl-5-undecanone is 50639-02-6.
What is the molecular formula of 2-Methyl-5-undecanone?
The molecular formula of 2-Methyl-5-undecanone is C12H24O.
What is the molecular weight of 2-Methyl-5-undecanone?
The molecular weight of 2-Methyl-5-undecanone is 184.18271 g/mol.
Where can I buy 2-Methyl-5-undecanone?
You can request a quote for 2-Methyl-5-undecanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-5-undecanone?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-5-undecanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.