3,6-Dimethyl-2-octanone
TL;DR: 3,6-Dimethyl-2-octanone (CAS 118452-32-7) is a chemical compound with molecular formula C10H20O and molecular weight 156.15141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,6-dimethyloctan-2-one
Also Known As: 3,6-Dimethyl-2-octanone, 3,6-dimethyloctan-2-one, 3,6-dimethyloct-2-one, 3,6-Dimethyl-2-octanone #, Octan-2-one, 3,6-dimethyl-
Technical Specifications
| Molecular Formula | C10H20O |
| Molecular Weight | 156.15141 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 156.15141 Da |
| Heavy Atoms | 11 |
| Complexity | 118.0 |
| SMILES | CCC(C)CCC(C)C(=O)C |
| InChIKey | OEDVKROUQIMIKK-UHFFFAOYSA-N |
Chemical Property Profile of 3,6-Dimethyl-2-octanone
Property Insights of 3,6-Dimethyl-2-octanone
The XLogP value of 3.2 indicates that 3,6-Dimethyl-2-octanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3,6-Dimethyl-2-octanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Dimethyl-2-octanone 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 3,6-Dimethyl-2-octanone?
The CAS number of 3,6-Dimethyl-2-octanone is 118452-32-7.
What is the molecular formula of 3,6-Dimethyl-2-octanone?
The molecular formula of 3,6-Dimethyl-2-octanone is C10H20O.
What is the molecular weight of 3,6-Dimethyl-2-octanone?
The molecular weight of 3,6-Dimethyl-2-octanone is 156.15141 g/mol.
Where can I buy 3,6-Dimethyl-2-octanone?
You can request a quote for 3,6-Dimethyl-2-octanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,6-Dimethyl-2-octanone?
Yes, CoreyChem provides custom synthesis services for 3,6-Dimethyl-2-octanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.