![1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, 6-methyl-, ethyl ester structure](/static/products/138/13839-77-5.png)
1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, 6-methyl-, ethyl ester
TL;DR: 1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, 6-methyl-, ethyl ester (CAS 13839-77-5) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
Also Known As: J2.164.487K, Ethyl 6-methyl-1,4-dioxaspiro[4.5]decane-6-carboxylate, Ethyl 2,3-Ethylenedioxy-1-methylcyclohexanecarboxylate, ethyl 10-methyl-1,4-dioxaspiro[4.5]decane-10-carboxylate, Ethyl 6-methyl-1,4-dioxaspiro[4.5]decane-6-carboxylate #
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 13839-77-5 |
|---|---|
| SMILES | CCOC(=O)C1(CCCCC12OCCO2)C |
| InChIKey | QFXUJYXEVGUYJD-UHFFFAOYSA-N |
Product Overview
1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, 6-methyl-, ethyl ester (CAS 13839-77-5), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: ethyl 6-methyl-1,4-dioxaspiro[4.5]decane-6-carboxylate.
Chemical Property Profile of 1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, 6-methyl-, ethyl ester
Property Insights of 1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, 6-methyl-, ethyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, 6-methyl-, ethyl ester. With a topological polar surface area (TPSA) of 44.8 Ų, 1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, 6-methyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, 6-methyl-, ethyl ester has 0 hydrogen bond donor(s) and 4 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 1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, 6-methyl-, ethyl ester?
The CAS number of 1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, 6-methyl-, ethyl ester is 13839-77-5.
What is the molecular formula of 1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, 6-methyl-, ethyl ester?
The molecular formula of 1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, 6-methyl-, ethyl ester is C12H20O4.
What is the molecular weight of 1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, 6-methyl-, ethyl ester?
The molecular weight of 1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, 6-methyl-, ethyl ester is 228.14 g/mol.
Where can I buy 1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, 6-methyl-, ethyl ester?
You can request a quote for 1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, 6-methyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, 6-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, 6-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.