3-Methyl-1,2-cyclopentanedione
TL;DR: 3-Methyl-1,2-cyclopentanedione (CAS 765-70-8) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylcyclopentane-1,2-dione
Also Known As: 3-Methylcyclopentane-1,2-dione, 3-Methyl-1,2-cyclopentanedione, Cyclotene, kentonarome, Corylone
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 137.0 |
| Melting Point | 106.5 - 107 °C |
Chemical Identifiers
| CAS Number | 765-70-8 |
|---|---|
| SMILES | CC1CCC(=O)C1=O |
| InChIKey | OACYKCIZDVVNJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-1,2-cyclopentanedione (CAS 765-70-8), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: 3-methylcyclopentane-1,2-dione.
Chemical Property Profile of 3-Methyl-1,2-cyclopentanedione
Property Insights of 3-Methyl-1,2-cyclopentanedione
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1,2-cyclopentanedione. With a topological polar surface area (TPSA) of 34.1 Ų, 3-Methyl-1,2-cyclopentanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1,2-cyclopentanedione 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 3-Methyl-1,2-cyclopentanedione?
The CAS number of 3-Methyl-1,2-cyclopentanedione is 765-70-8.
What is the molecular formula of 3-Methyl-1,2-cyclopentanedione?
The molecular formula of 3-Methyl-1,2-cyclopentanedione is C6H8O2.
What is the molecular weight of 3-Methyl-1,2-cyclopentanedione?
The molecular weight of 3-Methyl-1,2-cyclopentanedione is 112.05 g/mol.
Where can I buy 3-Methyl-1,2-cyclopentanedione?
You can request a quote for 3-Methyl-1,2-cyclopentanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1,2-cyclopentanedione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1,2-cyclopentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.