1-Oxaspiro(2.5)octane-2-carboxylic acid, 5,5,7-trimethyl-, ethyl ester
TL;DR: 1-Oxaspiro(2.5)octane-2-carboxylic acid, 5,5,7-trimethyl-, ethyl ester (CAS 60234-72-2) is a chemical compound with molecular formula C13H22O3 and molecular weight 226.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,5,7-trimethyl-1-oxaspiro[2.5]octane-2-carboxylate
Also Known As: ethyl 5,5,7-trimethyl-1-oxaspiro[2.5]octane-2-carboxylate, Ethyl 5,5,7-trimethyl-1-oxaspiro(2.5)octane-2-carboxylate, 1-Oxaspiro[2.5]octane-2-carboxylic acid, 5,5,7-trimethyl-, ethyl ester, Ethyl 3,3-(2,2,4-trimethylpentamethylene)-2,3-epoxypropionate, ethyl 5,5,7-trimethyl-1-oxaspirooctane-2-carboxylate
| Molecular Formula | C13H22O3 |
|---|---|
| Molecular Weight | 226.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.15689 |
| Heavy Atoms | 16 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 60234-72-2 |
|---|---|
| SMILES | CCOC(=O)C1C2(O1)CC(CC(C2)(C)C)C |
| InChIKey | RMWIEEYTJKQJFF-UHFFFAOYSA-N |
Product Overview
1-Oxaspiro(2.5)octane-2-carboxylic acid, 5,5,7-trimethyl-, ethyl ester (CAS 60234-72-2), with molecular formula C13H22O3 and molecular weight 226.16 g/mol. IUPAC: ethyl 5,5,7-trimethyl-1-oxaspiro[2.5]octane-2-carboxylate.
Chemical Property Profile of 1-Oxaspiro(2.5)octane-2-carboxylic acid, 5,5,7-trimethyl-, ethyl ester
Property Insights of 1-Oxaspiro(2.5)octane-2-carboxylic acid, 5,5,7-trimethyl-, ethyl ester
The XLogP value of 3.1 indicates that 1-Oxaspiro(2.5)octane-2-carboxylic acid, 5,5,7-trimethyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 1-Oxaspiro(2.5)octane-2-carboxylic acid, 5,5,7-trimethyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Oxaspiro(2.5)octane-2-carboxylic acid, 5,5,7-trimethyl-, ethyl ester 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 1-Oxaspiro(2.5)octane-2-carboxylic acid, 5,5,7-trimethyl-, ethyl ester?
The CAS number of 1-Oxaspiro(2.5)octane-2-carboxylic acid, 5,5,7-trimethyl-, ethyl ester is 60234-72-2.
What is the molecular formula of 1-Oxaspiro(2.5)octane-2-carboxylic acid, 5,5,7-trimethyl-, ethyl ester?
The molecular formula of 1-Oxaspiro(2.5)octane-2-carboxylic acid, 5,5,7-trimethyl-, ethyl ester is C13H22O3.
What is the molecular weight of 1-Oxaspiro(2.5)octane-2-carboxylic acid, 5,5,7-trimethyl-, ethyl ester?
The molecular weight of 1-Oxaspiro(2.5)octane-2-carboxylic acid, 5,5,7-trimethyl-, ethyl ester is 226.16 g/mol.
Where can I buy 1-Oxaspiro(2.5)octane-2-carboxylic acid, 5,5,7-trimethyl-, ethyl ester?
You can request a quote for 1-Oxaspiro(2.5)octane-2-carboxylic acid, 5,5,7-trimethyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxaspiro(2.5)octane-2-carboxylic acid, 5,5,7-trimethyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxaspiro(2.5)octane-2-carboxylic acid, 5,5,7-trimethyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.