2,3,4,5-Tetramethyl-2-cyclopentenone
TL;DR: 2,3,4,5-Tetramethyl-2-cyclopentenone (CAS 54458-61-6) is a chemical compound with molecular formula C9H14O and molecular weight 138.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5-tetramethylcyclopent-2-en-1-one
Also Known As: 2,3,4,5-Tetramethylcyclopent-2-enone, 2,3,4,5-Tetramethyl-2-cyclopentenone, 2,3,4,5-tetramethylcyclopent-2-en-1-one, Tetramethylcyclopent-2-enone, 2,3,4,5-TETRAMETHYL-2-CYCLOPENTEN-1-ONE
| Molecular Formula | C9H14O |
|---|---|
| Molecular Weight | 138.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.10446 |
| Heavy Atoms | 10 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 54458-61-6 |
|---|---|
| SMILES | CC1C(C(=O)C(=C1C)C)C |
| InChIKey | ARUAYSANQMCCEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4,5-Tetramethyl-2-cyclopentenone (CAS 54458-61-6), with molecular formula C9H14O and molecular weight 138.10 g/mol. IUPAC: 2,3,4,5-tetramethylcyclopent-2-en-1-one.
Chemical Property Profile of 2,3,4,5-Tetramethyl-2-cyclopentenone
Property Insights of 2,3,4,5-Tetramethyl-2-cyclopentenone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,5-Tetramethyl-2-cyclopentenone. With a topological polar surface area (TPSA) of 17.1 Ų, 2,3,4,5-Tetramethyl-2-cyclopentenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5-Tetramethyl-2-cyclopentenone 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 2,3,4,5-Tetramethyl-2-cyclopentenone?
The CAS number of 2,3,4,5-Tetramethyl-2-cyclopentenone is 54458-61-6.
What is the molecular formula of 2,3,4,5-Tetramethyl-2-cyclopentenone?
The molecular formula of 2,3,4,5-Tetramethyl-2-cyclopentenone is C9H14O.
What is the molecular weight of 2,3,4,5-Tetramethyl-2-cyclopentenone?
The molecular weight of 2,3,4,5-Tetramethyl-2-cyclopentenone is 138.10 g/mol.
Where can I buy 2,3,4,5-Tetramethyl-2-cyclopentenone?
You can request a quote for 2,3,4,5-Tetramethyl-2-cyclopentenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5-Tetramethyl-2-cyclopentenone?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5-Tetramethyl-2-cyclopentenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.