4-(4-Propan-2-ylcyclohexyl)butan-2-one
TL;DR: 4-(4-Propan-2-ylcyclohexyl)butan-2-one (CAS 115084-49-6) is a chemical compound with molecular formula C13H24O and molecular weight 196.18271 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-propan-2-ylcyclohexyl)butan-2-one
Also Known As: 4-(4-propan-2-ylcyclohexyl)butan-2-one, 4-[4-(propan-2-yl)cyclohexyl]butan-2-one, 2-Butanone,4-[4-(1-methylethyl)cyclohexyl]-, 4-(4-Isopropyl-cyclohexyl)-4-methyl-pentan-2-ol
Technical Specifications
| Molecular Formula | C13H24O |
| Molecular Weight | 196.18271 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.18271 Da |
| Heavy Atoms | 14 |
| Complexity | 176.0 |
| SMILES | CC(C)C1CCC(CC1)CCC(=O)C |
| InChIKey | VRMCAAQYOVUHND-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Propan-2-ylcyclohexyl)butan-2-one
Property Insights of 4-(4-Propan-2-ylcyclohexyl)butan-2-one
The XLogP value of 4.2 indicates that 4-(4-Propan-2-ylcyclohexyl)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-(4-Propan-2-ylcyclohexyl)butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Propan-2-ylcyclohexyl)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-(4-Propan-2-ylcyclohexyl)butan-2-one?
The CAS number of 4-(4-Propan-2-ylcyclohexyl)butan-2-one is 115084-49-6.
What is the molecular formula of 4-(4-Propan-2-ylcyclohexyl)butan-2-one?
The molecular formula of 4-(4-Propan-2-ylcyclohexyl)butan-2-one is C13H24O.
What is the molecular weight of 4-(4-Propan-2-ylcyclohexyl)butan-2-one?
The molecular weight of 4-(4-Propan-2-ylcyclohexyl)butan-2-one is 196.18271 g/mol.
Where can I buy 4-(4-Propan-2-ylcyclohexyl)butan-2-one?
You can request a quote for 4-(4-Propan-2-ylcyclohexyl)butan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Propan-2-ylcyclohexyl)butan-2-one?
Yes, CoreyChem provides custom synthesis services for 4-(4-Propan-2-ylcyclohexyl)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.