2-Methyl-6-oxocyclopent-1-enyl acetate
TL;DR: 2-Methyl-6-oxocyclopent-1-enyl acetate (CAS 1196-22-1) is a chemical compound with molecular formula C8H10O3 and molecular weight 154.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-5-oxocyclopenten-1-yl) acetate
Also Known As: Cyclotene acetate, 2-methyl-5-oxocyclopent-1-en-1-yl acetate, 2-Methyl-6-oxocyclopent-1-enyl acetate, (2-methyl-5-oxocyclopenten-1-yl) acetate, 2-Cyclopenten-1-one,2-(acetyloxy)-3-methyl-
| Molecular Formula | C8H10O3 |
|---|---|
| Molecular Weight | 154.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.06299 |
| Heavy Atoms | 11 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 1196-22-1 |
|---|---|
| SMILES | CC1=C(C(=O)CC1)OC(=O)C |
| InChIKey | NNYIMCWMHNKLNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-6-oxocyclopent-1-enyl acetate (CAS 1196-22-1), with molecular formula C8H10O3 and molecular weight 154.06 g/mol. IUPAC: (2-methyl-5-oxocyclopenten-1-yl) acetate.
Chemical Property Profile of 2-Methyl-6-oxocyclopent-1-enyl acetate
Property Insights of 2-Methyl-6-oxocyclopent-1-enyl acetate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-6-oxocyclopent-1-enyl acetate. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Methyl-6-oxocyclopent-1-enyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-6-oxocyclopent-1-enyl acetate has 0 hydrogen bond donor(s) and 3 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-Methyl-6-oxocyclopent-1-enyl acetate?
The CAS number of 2-Methyl-6-oxocyclopent-1-enyl acetate is 1196-22-1.
What is the molecular formula of 2-Methyl-6-oxocyclopent-1-enyl acetate?
The molecular formula of 2-Methyl-6-oxocyclopent-1-enyl acetate is C8H10O3.
What is the molecular weight of 2-Methyl-6-oxocyclopent-1-enyl acetate?
The molecular weight of 2-Methyl-6-oxocyclopent-1-enyl acetate is 154.06 g/mol.
Where can I buy 2-Methyl-6-oxocyclopent-1-enyl acetate?
You can request a quote for 2-Methyl-6-oxocyclopent-1-enyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-6-oxocyclopent-1-enyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-6-oxocyclopent-1-enyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.