4-(2,2-Dimethyl-6-Methylenecyclohexyl)Butan-2-One
TL;DR: 4-(2,2-Dimethyl-6-Methylenecyclohexyl)Butan-2-One (CAS 13720-12-2) is a chemical compound with molecular formula C13H22O and molecular weight 194.16707 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-2-one
Also Known As: Dihydro-gamma-ionone, gamma-Dihydroionone, Dihydro-.gamma.-ionone, 4-(2,2-Dimethyl-6-methylenecyclohexyl)butan-2-one, 4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-2-one
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H22O |
| Molecular Weight | 194.16707 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.16707 Da |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
| SMILES | CC(=O)CCC1C(=C)CCCC1(C)C |
| InChIKey | ZLPHULOLXDKCND-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2,2-Dimethyl-6-Methylenecyclohexyl)Butan-2-One
Property Insights of 4-(2,2-Dimethyl-6-Methylenecyclohexyl)Butan-2-One
The XLogP value of 3.1 indicates that 4-(2,2-Dimethyl-6-Methylenecyclohexyl)Butan-2-One is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4-(2,2-Dimethyl-6-Methylenecyclohexyl)Butan-2-One exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,2-Dimethyl-6-Methylenecyclohexyl)Butan-2-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 4-(2,2-Dimethyl-6-Methylenecyclohexyl)Butan-2-One?
The CAS number of 4-(2,2-Dimethyl-6-Methylenecyclohexyl)Butan-2-One is 13720-12-2.
What is the molecular formula of 4-(2,2-Dimethyl-6-Methylenecyclohexyl)Butan-2-One?
The molecular formula of 4-(2,2-Dimethyl-6-Methylenecyclohexyl)Butan-2-One is C13H22O.
What is the molecular weight of 4-(2,2-Dimethyl-6-Methylenecyclohexyl)Butan-2-One?
The molecular weight of 4-(2,2-Dimethyl-6-Methylenecyclohexyl)Butan-2-One is 194.16707 g/mol.
Where can I buy 4-(2,2-Dimethyl-6-Methylenecyclohexyl)Butan-2-One?
You can request a quote for 4-(2,2-Dimethyl-6-Methylenecyclohexyl)Butan-2-One directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2,2-Dimethyl-6-Methylenecyclohexyl)Butan-2-One?
Yes, CoreyChem provides custom synthesis services for 4-(2,2-Dimethyl-6-Methylenecyclohexyl)Butan-2-One and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.