2,2,4-Trimethylcyclopentanone
TL;DR: 2,2,4-Trimethylcyclopentanone (CAS 28056-54-4) is a chemical compound with molecular formula C8H14O and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4-trimethylcyclopentan-1-one
Also Known As: 2,2,4-Trimethylcyclopentanone, 2,2,4-Trimethylcyclopentan-1-one, Cyclopentanone, 2,2,4-trimethyl-, 2,2,4-trimethyl-cyclopentanon, 2,2,4-Trimethyl cyclopentanone
| Molecular Formula | C8H14O |
|---|---|
| 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 | 136.0 |
Chemical Identifiers
| CAS Number | 28056-54-4 |
|---|---|
| SMILES | CC1CC(=O)C(C1)(C)C |
| InChIKey | PJXIBUIXCXSNCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,4-Trimethylcyclopentanone (CAS 28056-54-4), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: 2,2,4-trimethylcyclopentan-1-one.
Chemical Property Profile of 2,2,4-Trimethylcyclopentanone
Property Insights of 2,2,4-Trimethylcyclopentanone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,4-Trimethylcyclopentanone. With a topological polar surface area (TPSA) of 17.1 Ų, 2,2,4-Trimethylcyclopentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4-Trimethylcyclopentanone 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 2,2,4-Trimethylcyclopentanone?
The CAS number of 2,2,4-Trimethylcyclopentanone is 28056-54-4.
What is the molecular formula of 2,2,4-Trimethylcyclopentanone?
The molecular formula of 2,2,4-Trimethylcyclopentanone is C8H14O.
What is the molecular weight of 2,2,4-Trimethylcyclopentanone?
The molecular weight of 2,2,4-Trimethylcyclopentanone is 126.10 g/mol.
Where can I buy 2,2,4-Trimethylcyclopentanone?
You can request a quote for 2,2,4-Trimethylcyclopentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4-Trimethylcyclopentanone?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-Trimethylcyclopentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.