2-Isopropyl-2,5-dimethylcyclohexanone
TL;DR: 2-Isopropyl-2,5-dimethylcyclohexanone (CAS 20144-44-9) is a chemical compound with molecular formula C11H20O and molecular weight 168.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-2-propan-2-ylcyclohexan-1-one
Also Known As: 2-Isopropyl-2,5-dimethylcyclohexanone, Cyclohexanone, 2-isopropyl-2,5-dimethyl-, 2-Isopropyl-2,5-dimethylcyclohexanone #, 2,5-dimethyl-2-(propan-2-yl)cyclohexan-1-one, 2,5-dimethyl-2-propan-2-ylcyclohexan-1-one
| Molecular Formula | C11H20O |
|---|---|
| Molecular Weight | 168.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.15141 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 20144-44-9 |
|---|---|
| SMILES | CC1CCC(C(=O)C1)(C)C(C)C |
| InChIKey | PFXHRFGMSHIJQV-UHFFFAOYSA-N |
Product Overview
2-Isopropyl-2,5-dimethylcyclohexanone (CAS 20144-44-9), with molecular formula C11H20O and molecular weight 168.15 g/mol. IUPAC: 2,5-dimethyl-2-propan-2-ylcyclohexan-1-one.
Chemical Property Profile of 2-Isopropyl-2,5-dimethylcyclohexanone
Property Insights of 2-Isopropyl-2,5-dimethylcyclohexanone
The XLogP value of 3.1 indicates that 2-Isopropyl-2,5-dimethylcyclohexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Isopropyl-2,5-dimethylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropyl-2,5-dimethylcyclohexanone 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
Frequently Asked Questions
What is the CAS number of 2-Isopropyl-2,5-dimethylcyclohexanone?
The CAS number of 2-Isopropyl-2,5-dimethylcyclohexanone is 20144-44-9.
What is the molecular formula of 2-Isopropyl-2,5-dimethylcyclohexanone?
The molecular formula of 2-Isopropyl-2,5-dimethylcyclohexanone is C11H20O.
What is the molecular weight of 2-Isopropyl-2,5-dimethylcyclohexanone?
The molecular weight of 2-Isopropyl-2,5-dimethylcyclohexanone is 168.15 g/mol.
Where can I buy 2-Isopropyl-2,5-dimethylcyclohexanone?
You can request a quote for 2-Isopropyl-2,5-dimethylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropyl-2,5-dimethylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropyl-2,5-dimethylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.