2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate
TL;DR: 2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate (CAS 1901-39-9) is a chemical compound with molecular formula C12H20O3 and molecular weight 212.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2,3-trimethyl-4-oxocyclopentyl)ethyl acetate
Also Known As: 2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate, Cyclopentanone,4-[2-(acetyloxy)ethyl]-2,3,3-trimethyl-, 4-[2-(Acetyloxy)ethyl]-2,3,3-trimethylcyclopentanone, Cyclopentanone, 4-(2-(acetyloxy)ethyl)-2,3,3-trimethyl-, EINECS 217-601-0
| Molecular Formula | C12H20O3 |
|---|---|
| Molecular Weight | 212.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.14125 |
| Heavy Atoms | 15 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 1901-39-9 |
|---|---|
| SMILES | CC1C(=O)CC(C1(C)C)CCOC(=O)C |
| InChIKey | ODBRWRPMELYFSQ-UHFFFAOYSA-N |
Product Overview
2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate (CAS 1901-39-9), with molecular formula C12H20O3 and molecular weight 212.14 g/mol. IUPAC: 2-(2,2,3-trimethyl-4-oxocyclopentyl)ethyl acetate.
Chemical Property Profile of 2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate
Property Insights of 2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate. With a topological polar surface area (TPSA) of 43.4 Ų, 2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl 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-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate?
The CAS number of 2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate is 1901-39-9.
What is the molecular formula of 2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate?
The molecular formula of 2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate is C12H20O3.
What is the molecular weight of 2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate?
The molecular weight of 2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate is 212.14 g/mol.
Where can I buy 2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate?
You can request a quote for 2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.