3,5-Dimethylcyclohexanone
TL;DR: 3,5-Dimethylcyclohexanone (CAS 7214-52-0) is a chemical compound with molecular formula CC1CC(CC(=O)C1)C and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethylcyclohexan-1-one
Also Known As: 3,5-Dimethylcyclohexanone, Cyclohexanone, 3,5-dimethyl-, 3,5-dimethylcyclohexan-1-one, 3,5-Dimethyl cyclohexanone, cis-3,5-Dimethylcyclohexanone
| Molecular Formula | CC1CC(CC(=O)C1)C |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 7214-52-0 |
|---|---|
| SMILES | CC1CC(CC(=O)C1)C |
| InChIKey | MSANHHHQJYQEOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dimethylcyclohexanone (CAS 7214-52-0), with molecular formula CC1CC(CC(=O)C1)C and molecular weight 126.10 g/mol. IUPAC: 3,5-dimethylcyclohexan-1-one.
Chemical Property Profile of 3,5-Dimethylcyclohexanone
Property Insights of 3,5-Dimethylcyclohexanone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethylcyclohexanone. With a topological polar surface area (TPSA) of 17.1 Ų, 3,5-Dimethylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-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 3,5-Dimethylcyclohexanone?
The CAS number of 3,5-Dimethylcyclohexanone is 7214-52-0.
What is the molecular formula of 3,5-Dimethylcyclohexanone?
The molecular formula of 3,5-Dimethylcyclohexanone is CC1CC(CC(=O)C1)C.
What is the molecular weight of 3,5-Dimethylcyclohexanone?
The molecular weight of 3,5-Dimethylcyclohexanone is 126.10 g/mol.
Where can I buy 3,5-Dimethylcyclohexanone?
You can request a quote for 3,5-Dimethylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.