5-Isobutylcyclohexane-1,3-dione
TL;DR: 5-Isobutylcyclohexane-1,3-dione (CAS 57641-95-9) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methylpropyl)cyclohexane-1,3-dione
Also Known As: 5-Isobutylcyclohexane-1,3-dione, 5-(2-methylpropyl)cyclohexane-1,3-dione, 1,3-Dioxo-5-isobutylcyclohexane, 5-isobutyl-1,3-cyclohexanedione, 5-Isobutylcyclohexane-1,3-dione 98%
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 1.9708 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 178.01526 |
Chemical Identifiers
| CAS Number | 57641-95-9 |
|---|---|
| SMILES | CC(C)CC1CC(=O)CC(=O)C1 |
Product Overview
5-Isobutylcyclohexane-1,3-dione (CAS 57641-95-9), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: 5-(2-methylpropyl)cyclohexane-1,3-dione.
Chemical Property Profile of 5-Isobutylcyclohexane-1,3-dione
Property Insights of 5-Isobutylcyclohexane-1,3-dione
The XLogP value of 1.9708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isobutylcyclohexane-1,3-dione. With a topological polar surface area (TPSA) of 34.14 Ų, 5-Isobutylcyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isobutylcyclohexane-1,3-dione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Isobutylcyclohexane-1,3-dione?
The CAS number of 5-Isobutylcyclohexane-1,3-dione is 57641-95-9.
What is the molecular formula of 5-Isobutylcyclohexane-1,3-dione?
The molecular formula of 5-Isobutylcyclohexane-1,3-dione is C10H16O2.
What is the molecular weight of 5-Isobutylcyclohexane-1,3-dione?
The molecular weight of 5-Isobutylcyclohexane-1,3-dione is 168.12 g/mol.
Where can I buy 5-Isobutylcyclohexane-1,3-dione?
You can request a quote for 5-Isobutylcyclohexane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isobutylcyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Isobutylcyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.