(6-Acetyloxy-2,5-dimethylhex-4-enyl) acetate
TL;DR: (6-Acetyloxy-2,5-dimethylhex-4-enyl) acetate (CAS 71172-53-7) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-acetyloxy-2,5-dimethylhex-4-enyl) acetate
Also Known As: 2,5-dimethylhex-2-ene-1,6-diyl diacetate, (6-acetyloxy-2,5-dimethylhex-4-enyl) acetate, 2,5-Dimethyl-2-Hexene-1,6-Diol DiacetateA A
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 71172-53-7 |
|---|---|
| SMILES | CC(CC=C(C)COC(=O)C)COC(=O)C |
| InChIKey | WJQFKEKGHLXYOP-UHFFFAOYSA-N |
Product Overview
(6-Acetyloxy-2,5-dimethylhex-4-enyl) acetate (CAS 71172-53-7), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: (6-acetyloxy-2,5-dimethylhex-4-enyl) acetate.
Chemical Property Profile of (6-Acetyloxy-2,5-dimethylhex-4-enyl) acetate
Property Insights of (6-Acetyloxy-2,5-dimethylhex-4-enyl) acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-Acetyloxy-2,5-dimethylhex-4-enyl) acetate. With a topological polar surface area (TPSA) of 52.6 Ų, (6-Acetyloxy-2,5-dimethylhex-4-enyl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6-Acetyloxy-2,5-dimethylhex-4-enyl) acetate has 0 hydrogen bond donor(s) and 4 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 (6-Acetyloxy-2,5-dimethylhex-4-enyl) acetate?
The CAS number of (6-Acetyloxy-2,5-dimethylhex-4-enyl) acetate is 71172-53-7.
What is the molecular formula of (6-Acetyloxy-2,5-dimethylhex-4-enyl) acetate?
The molecular formula of (6-Acetyloxy-2,5-dimethylhex-4-enyl) acetate is C12H20O4.
What is the molecular weight of (6-Acetyloxy-2,5-dimethylhex-4-enyl) acetate?
The molecular weight of (6-Acetyloxy-2,5-dimethylhex-4-enyl) acetate is 228.14 g/mol.
Where can I buy (6-Acetyloxy-2,5-dimethylhex-4-enyl) acetate?
You can request a quote for (6-Acetyloxy-2,5-dimethylhex-4-enyl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Acetyloxy-2,5-dimethylhex-4-enyl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (6-Acetyloxy-2,5-dimethylhex-4-enyl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.