2,4,4-Trimethylcyclohex-2-en-1-one
TL;DR: 2,4,4-Trimethylcyclohex-2-en-1-one (CAS 13395-71-6) is a chemical compound with molecular formula C9H14O and molecular weight 138.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,4-trimethylcyclohex-2-en-1-one
Also Known As: 2,4,4-trimethylcyclohex-2-en-1-one, 2,4,4-trimethylcyclohex-2-enone, ghl.PD_Mitscher_leg0.89, 2-Cyclohexen-1-one,2,4,4-trimethyl-, 2,4,4-trimethylcyclohexenone
Technical Specifications
| Molecular Formula | C9H14O |
| Molecular Weight | 138.10446 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.10446 Da |
| Heavy Atoms | 10 |
| Complexity | 187.0 |
| SMILES | CC1=CC(CCC1=O)(C)C |
| InChIKey | VIBRIVSJBYFUNF-UHFFFAOYSA-N |
Chemical Property Profile of 2,4,4-Trimethylcyclohex-2-en-1-one
Property Insights of 2,4,4-Trimethylcyclohex-2-en-1-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,4-Trimethylcyclohex-2-en-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 2,4,4-Trimethylcyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,4-Trimethylcyclohex-2-en-1-one 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 2,4,4-Trimethylcyclohex-2-en-1-one?
The CAS number of 2,4,4-Trimethylcyclohex-2-en-1-one is 13395-71-6.
What is the molecular formula of 2,4,4-Trimethylcyclohex-2-en-1-one?
The molecular formula of 2,4,4-Trimethylcyclohex-2-en-1-one is C9H14O.
What is the molecular weight of 2,4,4-Trimethylcyclohex-2-en-1-one?
The molecular weight of 2,4,4-Trimethylcyclohex-2-en-1-one is 138.10446 g/mol.
Where can I buy 2,4,4-Trimethylcyclohex-2-en-1-one?
You can request a quote for 2,4,4-Trimethylcyclohex-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,4-Trimethylcyclohex-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 2,4,4-Trimethylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.