3,4,4-Trimethyl-1,2-cyclopentanedione
TL;DR: 3,4,4-Trimethyl-1,2-cyclopentanedione (CAS 86702-81-0) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3,4,4-trimethylcyclopent-2-en-1-one
Also Known As: 2-HYDROXY-3,4,4-TRIMETHYLCYCLOPENT-2-ENONE, 2-hydroxy-3,4,4-trimethylcyclopent-2-en-1-one, 3,4,4-Trimethyl-1,2-cyclopentanedione, 3-(3-Fluorophenoxy)propionic Acid, 2-Hydroxy-3,4,4-trimethyl-2-cyclopenten-1-one
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 1.8174 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 211.29749 |
Chemical Identifiers
| CAS Number | 86702-81-0 |
|---|---|
| SMILES | CC1=C(C(=O)CC1(C)C)O |
Product Overview
3,4,4-Trimethyl-1,2-cyclopentanedione (CAS 86702-81-0), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: 2-hydroxy-3,4,4-trimethylcyclopent-2-en-1-one.
Chemical Property Profile of 3,4,4-Trimethyl-1,2-cyclopentanedione
Property Insights of 3,4,4-Trimethyl-1,2-cyclopentanedione
The XLogP value of 1.8174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,4-Trimethyl-1,2-cyclopentanedione. With a topological polar surface area (TPSA) of 37.3 Ų, 3,4,4-Trimethyl-1,2-cyclopentanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,4-Trimethyl-1,2-cyclopentanedione has 1 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 3,4,4-Trimethyl-1,2-cyclopentanedione?
The CAS number of 3,4,4-Trimethyl-1,2-cyclopentanedione is 86702-81-0.
What is the molecular formula of 3,4,4-Trimethyl-1,2-cyclopentanedione?
The molecular formula of 3,4,4-Trimethyl-1,2-cyclopentanedione is C8H12O2.
What is the molecular weight of 3,4,4-Trimethyl-1,2-cyclopentanedione?
The molecular weight of 3,4,4-Trimethyl-1,2-cyclopentanedione is 140.08 g/mol.
Where can I buy 3,4,4-Trimethyl-1,2-cyclopentanedione?
You can request a quote for 3,4,4-Trimethyl-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 3,4,4-Trimethyl-1,2-cyclopentanedione?
Yes, KEHONG BIO provides custom synthesis services for 3,4,4-Trimethyl-1,2-cyclopentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.