3,3-Dimethyl-2-hexanone
TL;DR: 3,3-Dimethyl-2-hexanone (CAS 26118-38-7) is a chemical compound with molecular formula C8H16O and molecular weight 128.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-dimethylhexan-2-one
Also Known As: 3,3-dimethylhexan-2-one, 3,3-DIMETHYL-2-HEXANONE, 2-Hexanone, 3,3-dimethyl-, 3,3-dimethyl-hexan-2-one, 2-Hexanone,3,3-dimethyl-
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H16O |
| Molecular Weight | 128.12012 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.12012 Da |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
| SMILES | CCCC(C)(C)C(=O)C |
| InChIKey | LJZPWSZYYTUCDP-UHFFFAOYSA-N |
Chemical Property Profile of 3,3-Dimethyl-2-hexanone
Property Insights of 3,3-Dimethyl-2-hexanone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-2-hexanone. With a topological polar surface area (TPSA) of 17.1 Ų, 3,3-Dimethyl-2-hexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-2-hexanone 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 3,3-Dimethyl-2-hexanone?
The CAS number of 3,3-Dimethyl-2-hexanone is 26118-38-7.
What is the molecular formula of 3,3-Dimethyl-2-hexanone?
The molecular formula of 3,3-Dimethyl-2-hexanone is C8H16O.
What is the molecular weight of 3,3-Dimethyl-2-hexanone?
The molecular weight of 3,3-Dimethyl-2-hexanone is 128.12012 g/mol.
Where can I buy 3,3-Dimethyl-2-hexanone?
You can request a quote for 3,3-Dimethyl-2-hexanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3-Dimethyl-2-hexanone?
Yes, CoreyChem provides custom synthesis services for 3,3-Dimethyl-2-hexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.