Ethyl 2-(3-hydroxy-2,2,4-trimethylcyclopentyl)acetate
TL;DR: Ethyl 2-(3-hydroxy-2,2,4-trimethylcyclopentyl)acetate (CAS 92916-45-5) is a chemical compound with molecular formula C12H22O3 and molecular weight 214.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-hydroxy-2,2,4-trimethylcyclopentyl)acetate
Also Known As: ethyl 2-(3-hydroxy-2,2,4-trimethylcyclopentyl)acetate, ethyl(3-hydroxy-2,2,4-trimethylcyclopentyl)acetate, ethyl (3-hydroxy-2,2,4-trimethylcyclopentyl)acetate
| Molecular Formula | C12H22O3 |
|---|---|
| Molecular Weight | 214.16 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.15689 |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 92916-45-5 |
|---|---|
| SMILES | CCOC(=O)CC1CC(C(C1(C)C)O)C |
| InChIKey | UKCJPXZHJFXEOP-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(3-hydroxy-2,2,4-trimethylcyclopentyl)acetate (CAS 92916-45-5), with molecular formula C12H22O3 and molecular weight 214.16 g/mol. IUPAC: ethyl 2-(3-hydroxy-2,2,4-trimethylcyclopentyl)acetate.
Chemical Property Profile of Ethyl 2-(3-hydroxy-2,2,4-trimethylcyclopentyl)acetate
Property Insights of Ethyl 2-(3-hydroxy-2,2,4-trimethylcyclopentyl)acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3-hydroxy-2,2,4-trimethylcyclopentyl)acetate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 2-(3-hydroxy-2,2,4-trimethylcyclopentyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(3-hydroxy-2,2,4-trimethylcyclopentyl)acetate has 1 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 Ethyl 2-(3-hydroxy-2,2,4-trimethylcyclopentyl)acetate?
The CAS number of Ethyl 2-(3-hydroxy-2,2,4-trimethylcyclopentyl)acetate is 92916-45-5.
What is the molecular formula of Ethyl 2-(3-hydroxy-2,2,4-trimethylcyclopentyl)acetate?
The molecular formula of Ethyl 2-(3-hydroxy-2,2,4-trimethylcyclopentyl)acetate is C12H22O3.
What is the molecular weight of Ethyl 2-(3-hydroxy-2,2,4-trimethylcyclopentyl)acetate?
The molecular weight of Ethyl 2-(3-hydroxy-2,2,4-trimethylcyclopentyl)acetate is 214.16 g/mol.
Where can I buy Ethyl 2-(3-hydroxy-2,2,4-trimethylcyclopentyl)acetate?
You can request a quote for Ethyl 2-(3-hydroxy-2,2,4-trimethylcyclopentyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-hydroxy-2,2,4-trimethylcyclopentyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-hydroxy-2,2,4-trimethylcyclopentyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.