5-(3,3-Dimethyloxiranyl)-3-methylpent-2-en-1-yl acetate
TL;DR: 5-(3,3-Dimethyloxiranyl)-3-methylpent-2-en-1-yl acetate (CAS 63707-79-9) 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.
[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl] acetate
Also Known As: starbld0007405, 6,7-epoxygeranyl acetate, EINECS 253-637-3, 5- -3-methylpent-2-en-1-ylacetate, 3-Phenyl-5-nitro-indol-2-carbonitril
| Molecular Formula | C12H20O3 |
|---|---|
| Molecular Weight | 212.14 g/mol |
| LogP | 2.4534 |
| Topological Polar Surface Area | 38.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.14125 |
| Heavy Atoms | 15 |
| Complexity | 266.0408 |
Chemical Identifiers
| CAS Number | 63707-79-9 |
|---|---|
| SMILES | C/C(=C\COC(=O)C)/CCC1C(O1)(C)C |
Product Overview
5-(3,3-Dimethyloxiranyl)-3-methylpent-2-en-1-yl acetate (CAS 63707-79-9), with molecular formula C12H20O3 and molecular weight 212.14 g/mol. IUPAC: [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl] acetate.
Chemical Property Profile of 5-(3,3-Dimethyloxiranyl)-3-methylpent-2-en-1-yl acetate
Property Insights of 5-(3,3-Dimethyloxiranyl)-3-methylpent-2-en-1-yl acetate
The XLogP value of 2.4534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3,3-Dimethyloxiranyl)-3-methylpent-2-en-1-yl acetate. With a topological polar surface area (TPSA) of 38.83 Ų, 5-(3,3-Dimethyloxiranyl)-3-methylpent-2-en-1-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3,3-Dimethyloxiranyl)-3-methylpent-2-en-1-yl 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 5-(3,3-Dimethyloxiranyl)-3-methylpent-2-en-1-yl acetate?
The CAS number of 5-(3,3-Dimethyloxiranyl)-3-methylpent-2-en-1-yl acetate is 63707-79-9.
What is the molecular formula of 5-(3,3-Dimethyloxiranyl)-3-methylpent-2-en-1-yl acetate?
The molecular formula of 5-(3,3-Dimethyloxiranyl)-3-methylpent-2-en-1-yl acetate is C12H20O3.
What is the molecular weight of 5-(3,3-Dimethyloxiranyl)-3-methylpent-2-en-1-yl acetate?
The molecular weight of 5-(3,3-Dimethyloxiranyl)-3-methylpent-2-en-1-yl acetate is 212.14 g/mol.
Where can I buy 5-(3,3-Dimethyloxiranyl)-3-methylpent-2-en-1-yl acetate?
You can request a quote for 5-(3,3-Dimethyloxiranyl)-3-methylpent-2-en-1-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,3-Dimethyloxiranyl)-3-methylpent-2-en-1-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,3-Dimethyloxiranyl)-3-methylpent-2-en-1-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.