alpha,alpha,6-Trimethyl-7-oxabicyclo(4.1.0)heptane-3-methyl acetate
TL;DR: alpha,alpha,6-Trimethyl-7-oxabicyclo(4.1.0)heptane-3-methyl acetate (CAS 95008-90-5) 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.
2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl acetate
Also Known As: Epoxy-.alpha.-terpenyl acetate, EINECS 305-717-5, alpha,alpha,6-Trimethyl-7-oxabicyclo(4.1.0)heptane-3-methyl acetate, 2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl acetate, 2-(6-methyl-7-oxabicyclo[4.1.0]hept-3-yl)propan-2-yl acetate
| Molecular Formula | C12H20O3 |
|---|---|
| Molecular Weight | 212.14 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.14125 |
| Heavy Atoms | 15 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 95008-90-5 |
|---|---|
| SMILES | CC(=O)OC(C)(C)C1CCC2(C(C1)O2)C |
| InChIKey | ZQUBQCGVEVKYNE-UHFFFAOYSA-N |
Product Overview
alpha,alpha,6-Trimethyl-7-oxabicyclo(4.1.0)heptane-3-methyl acetate (CAS 95008-90-5), with molecular formula C12H20O3 and molecular weight 212.14 g/mol. IUPAC: 2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl acetate.
Chemical Property Profile of alpha,alpha,6-Trimethyl-7-oxabicyclo(4.1.0)heptane-3-methyl acetate
Property Insights of alpha,alpha,6-Trimethyl-7-oxabicyclo(4.1.0)heptane-3-methyl acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha,alpha,6-Trimethyl-7-oxabicyclo(4.1.0)heptane-3-methyl acetate. With a topological polar surface area (TPSA) of 38.8 Ų, alpha,alpha,6-Trimethyl-7-oxabicyclo(4.1.0)heptane-3-methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha,alpha,6-Trimethyl-7-oxabicyclo(4.1.0)heptane-3-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 alpha,alpha,6-Trimethyl-7-oxabicyclo(4.1.0)heptane-3-methyl acetate?
The CAS number of alpha,alpha,6-Trimethyl-7-oxabicyclo(4.1.0)heptane-3-methyl acetate is 95008-90-5.
What is the molecular formula of alpha,alpha,6-Trimethyl-7-oxabicyclo(4.1.0)heptane-3-methyl acetate?
The molecular formula of alpha,alpha,6-Trimethyl-7-oxabicyclo(4.1.0)heptane-3-methyl acetate is C12H20O3.
What is the molecular weight of alpha,alpha,6-Trimethyl-7-oxabicyclo(4.1.0)heptane-3-methyl acetate?
The molecular weight of alpha,alpha,6-Trimethyl-7-oxabicyclo(4.1.0)heptane-3-methyl acetate is 212.14 g/mol.
Where can I buy alpha,alpha,6-Trimethyl-7-oxabicyclo(4.1.0)heptane-3-methyl acetate?
You can request a quote for alpha,alpha,6-Trimethyl-7-oxabicyclo(4.1.0)heptane-3-methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,alpha,6-Trimethyl-7-oxabicyclo(4.1.0)heptane-3-methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for alpha,alpha,6-Trimethyl-7-oxabicyclo(4.1.0)heptane-3-methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.