![[3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate structure](/static/products/5072/50727-95-2.webp)
[3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate
TL;DR: [3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate (CAS 50727-95-2) 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.
[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate
Also Known As: 2,3-Epoxygeranyl acetate, Geranyl acetate, 2,3-epoxy-, (2R*,3R*)-2,3-epoxy-3,7-dimethyl-6-octenyl acetate, [3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate, [3-Methyl-3-(4-methyl-3-pentenyl)-2-oxiranyl]methyl acetate
| Molecular Formula | C12H20O3 |
|---|---|
| Molecular Weight | 212.14 g/mol |
| LogP | 2.4 |
| 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 | 266.0 |
Chemical Identifiers
| CAS Number | 50727-95-2 |
|---|---|
| SMILES | CC(=CCCC1(C(O1)COC(=O)C)C)C |
| InChIKey | HUUKHKAFVDAFIX-UHFFFAOYSA-N |
Product Overview
[3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate (CAS 50727-95-2), with molecular formula C12H20O3 and molecular weight 212.14 g/mol. IUPAC: [3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate.
Chemical Property Profile of [3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate
Property Insights of [3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate. With a topological polar surface area (TPSA) of 38.8 Ų, [3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl 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 [3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate?
The CAS number of [3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate is 50727-95-2.
What is the molecular formula of [3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate?
The molecular formula of [3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate is C12H20O3.
What is the molecular weight of [3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate?
The molecular weight of [3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate is 212.14 g/mol.
Where can I buy [3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate?
You can request a quote for [3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.