2-Oxiranepropanol, alpha-ethenyl-alpha,3,3-trimethyl-, 2-acetate
TL;DR: 2-Oxiranepropanol, alpha-ethenyl-alpha,3,3-trimethyl-, 2-acetate (CAS 5408-16-2) 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.
[5-(3,3-dimethyloxiran-2-yl)-3-methylpent-1-en-3-yl] acetate
Also Known As: 1- -1-methylallylacetate, 1-(3,4-Epoxy-4-methylpentyl)-1-methylallyl acetate, Linalyl acetate 6,7-epoxide, 6,7-Dihydro-6,7-epoxylinalyl acetate, [5-(3,3-dimethyloxiran-2-yl)-3-methylpent-1-en-3-yl] acetate
| Molecular Formula | C12H20O3 |
|---|---|
| Molecular Weight | 212.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.14125 |
| Heavy Atoms | 15 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 5408-16-2 |
|---|---|
| SMILES | CC(=O)OC(C)(CCC1C(O1)(C)C)C=C |
| InChIKey | SVXOLLYBCSDBKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Oxiranepropanol, alpha-ethenyl-alpha,3,3-trimethyl-, 2-acetate (CAS 5408-16-2), with molecular formula C12H20O3 and molecular weight 212.14 g/mol. IUPAC: [5-(3,3-dimethyloxiran-2-yl)-3-methylpent-1-en-3-yl] acetate.
Chemical Property Profile of 2-Oxiranepropanol, alpha-ethenyl-alpha,3,3-trimethyl-, 2-acetate
Property Insights of 2-Oxiranepropanol, alpha-ethenyl-alpha,3,3-trimethyl-, 2-acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxiranepropanol, alpha-ethenyl-alpha,3,3-trimethyl-, 2-acetate. With a topological polar surface area (TPSA) of 38.8 Ų, 2-Oxiranepropanol, alpha-ethenyl-alpha,3,3-trimethyl-, 2-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxiranepropanol, alpha-ethenyl-alpha,3,3-trimethyl-, 2-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-Oxiranepropanol, alpha-ethenyl-alpha,3,3-trimethyl-, 2-acetate?
The CAS number of 2-Oxiranepropanol, alpha-ethenyl-alpha,3,3-trimethyl-, 2-acetate is 5408-16-2.
What is the molecular formula of 2-Oxiranepropanol, alpha-ethenyl-alpha,3,3-trimethyl-, 2-acetate?
The molecular formula of 2-Oxiranepropanol, alpha-ethenyl-alpha,3,3-trimethyl-, 2-acetate is C12H20O3.
What is the molecular weight of 2-Oxiranepropanol, alpha-ethenyl-alpha,3,3-trimethyl-, 2-acetate?
The molecular weight of 2-Oxiranepropanol, alpha-ethenyl-alpha,3,3-trimethyl-, 2-acetate is 212.14 g/mol.
Where can I buy 2-Oxiranepropanol, alpha-ethenyl-alpha,3,3-trimethyl-, 2-acetate?
You can request a quote for 2-Oxiranepropanol, alpha-ethenyl-alpha,3,3-trimethyl-, 2-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxiranepropanol, alpha-ethenyl-alpha,3,3-trimethyl-, 2-acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxiranepropanol, alpha-ethenyl-alpha,3,3-trimethyl-, 2-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.