Ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate
TL;DR: Ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate (CAS 9003-47-8) 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 3,3-dimethyl-2-pentyloxirane-2-carboxylate
Also Known As: Polyvinyl pyridine, Poly(vinylpyridine), Pyridine, ethenyl-, homopolymer, (C7-H7-N)x-, ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate
| Molecular Formula | C12H22O3 |
|---|---|
| Molecular Weight | 214.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 214.15689 |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 9003-47-8 |
|---|---|
| SMILES | CCCCCC1(C(O1)(C)C)C(=O)OCC |
| InChIKey | WMLKUPXOPBTQPQ-UHFFFAOYSA-N |
Product Overview
Ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate (CAS 9003-47-8), with molecular formula C12H22O3 and molecular weight 214.16 g/mol. IUPAC: ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate.
Chemical Property Profile of Ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate
Property Insights of Ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate. With a topological polar surface area (TPSA) of 38.8 Ų, Ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate 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 Ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate?
The CAS number of Ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate is 9003-47-8.
What is the molecular formula of Ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate?
The molecular formula of Ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate is C12H22O3.
What is the molecular weight of Ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate?
The molecular weight of Ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate is 214.16 g/mol.
Where can I buy Ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate?
You can request a quote for Ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.