2-Methyl-5-oxo-1-cyclopenten-1-yl isovalerate
TL;DR: 2-Methyl-5-oxo-1-cyclopenten-1-yl isovalerate (CAS 68084-07-1) is a chemical compound with molecular formula C11H16O3 and molecular weight 196.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-5-oxocyclopenten-1-yl) 3-methylbutanoate
Also Known As: Cyclotene isovalerate, 2-Methyl-5-oxo-1-cyclopenten-1-yl isovalerate, (2-methyl-5-oxocyclopenten-1-yl) 3-methylbutanoate, 2-methyl-5-oxo-1-cyclopenten-1-ylisovalerate, 2-METHYL-5-OXOCYCLOPENT-1-EN-1-YL 3-METHYLBUTANOATE
| Molecular Formula | C11H16O3 |
|---|---|
| Molecular Weight | 196.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.10994 |
| Heavy Atoms | 14 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 68084-07-1 |
|---|---|
| SMILES | CC1=C(C(=O)CC1)OC(=O)CC(C)C |
| InChIKey | BMRCKURWGZUABP-UHFFFAOYSA-N |
Product Overview
2-Methyl-5-oxo-1-cyclopenten-1-yl isovalerate (CAS 68084-07-1), with molecular formula C11H16O3 and molecular weight 196.11 g/mol. IUPAC: (2-methyl-5-oxocyclopenten-1-yl) 3-methylbutanoate.
Chemical Property Profile of 2-Methyl-5-oxo-1-cyclopenten-1-yl isovalerate
Property Insights of 2-Methyl-5-oxo-1-cyclopenten-1-yl isovalerate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-oxo-1-cyclopenten-1-yl isovalerate. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Methyl-5-oxo-1-cyclopenten-1-yl isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-5-oxo-1-cyclopenten-1-yl isovalerate 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-5-oxo-1-cyclopenten-1-yl isovalerate?
The CAS number of 2-Methyl-5-oxo-1-cyclopenten-1-yl isovalerate is 68084-07-1.
What is the molecular formula of 2-Methyl-5-oxo-1-cyclopenten-1-yl isovalerate?
The molecular formula of 2-Methyl-5-oxo-1-cyclopenten-1-yl isovalerate is C11H16O3.
What is the molecular weight of 2-Methyl-5-oxo-1-cyclopenten-1-yl isovalerate?
The molecular weight of 2-Methyl-5-oxo-1-cyclopenten-1-yl isovalerate is 196.11 g/mol.
Where can I buy 2-Methyl-5-oxo-1-cyclopenten-1-yl isovalerate?
You can request a quote for 2-Methyl-5-oxo-1-cyclopenten-1-yl isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-oxo-1-cyclopenten-1-yl isovalerate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-oxo-1-cyclopenten-1-yl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.