2,2-Diethylcyclohexanone
TL;DR: 2,2-Diethylcyclohexanone (CAS 16519-67-8) is a chemical compound with molecular formula C10H18O and molecular weight 154.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-diethylcyclohexan-1-one
Also Known As: 2,2-Diethylcyclohexanone, 2,2-diethylcyclohexan-1-one, Cyclohexanone, 2,2-diethyl-, 2,2-Diethylcyclohexanone #
| Molecular Formula | C10H18O |
|---|---|
| Molecular Weight | 154.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.13577 |
| Heavy Atoms | 11 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 16519-67-8 |
|---|---|
| SMILES | CCC1(CCCCC1=O)CC |
| InChIKey | NPJUWQOZDGNZBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Diethylcyclohexanone (CAS 16519-67-8), with molecular formula C10H18O and molecular weight 154.14 g/mol. IUPAC: 2,2-diethylcyclohexan-1-one.
Chemical Property Profile of 2,2-Diethylcyclohexanone
Property Insights of 2,2-Diethylcyclohexanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Diethylcyclohexanone. With a topological polar surface area (TPSA) of 17.1 Ų, 2,2-Diethylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Diethylcyclohexanone 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 2,2-Diethylcyclohexanone?
The CAS number of 2,2-Diethylcyclohexanone is 16519-67-8.
What is the molecular formula of 2,2-Diethylcyclohexanone?
The molecular formula of 2,2-Diethylcyclohexanone is C10H18O.
What is the molecular weight of 2,2-Diethylcyclohexanone?
The molecular weight of 2,2-Diethylcyclohexanone is 154.14 g/mol.
Where can I buy 2,2-Diethylcyclohexanone?
You can request a quote for 2,2-Diethylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Diethylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Diethylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.