2,6-Octadiene-1,8-diol, 2,6-dimethyl-, 1,8-diacetate
TL;DR: 2,6-Octadiene-1,8-diol, 2,6-dimethyl-, 1,8-diacetate (CAS 36052-53-6) is a chemical compound with molecular formula C14H22O4 and molecular weight 254.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-acetyloxy-3,7-dimethylocta-2,6-dienyl) acetate
Also Known As: 2,6-Dimethyl-2,6-octadiene-1,8-diol diacetate, 8-(acetyloxy)-2,6-dimethylocta-2,6-dienyl acetate, 2,6-Dimethylocta-2,6-diene-1,8-diyl diacetate, Octa-2,6-diene, 1,8-diacetoxy-2,6-dimethyl-, (8-acetyloxy-3,7-dimethylocta-2,6-dienyl) acetate
| Molecular Formula | C14H22O4 |
|---|---|
| Molecular Weight | 254.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 254.15181 |
| Heavy Atoms | 18 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 36052-53-6 |
|---|---|
| SMILES | CC(=CCOC(=O)C)CCC=C(C)COC(=O)C |
| InChIKey | PJAHPEXZNWUNLF-UHFFFAOYSA-N |
Product Overview
2,6-Octadiene-1,8-diol, 2,6-dimethyl-, 1,8-diacetate (CAS 36052-53-6), with molecular formula C14H22O4 and molecular weight 254.15 g/mol. IUPAC: (8-acetyloxy-3,7-dimethylocta-2,6-dienyl) acetate.
Chemical Property Profile of 2,6-Octadiene-1,8-diol, 2,6-dimethyl-, 1,8-diacetate
Property Insights of 2,6-Octadiene-1,8-diol, 2,6-dimethyl-, 1,8-diacetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Octadiene-1,8-diol, 2,6-dimethyl-, 1,8-diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, 2,6-Octadiene-1,8-diol, 2,6-dimethyl-, 1,8-diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Octadiene-1,8-diol, 2,6-dimethyl-, 1,8-diacetate 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 2,6-Octadiene-1,8-diol, 2,6-dimethyl-, 1,8-diacetate?
The CAS number of 2,6-Octadiene-1,8-diol, 2,6-dimethyl-, 1,8-diacetate is 36052-53-6.
What is the molecular formula of 2,6-Octadiene-1,8-diol, 2,6-dimethyl-, 1,8-diacetate?
The molecular formula of 2,6-Octadiene-1,8-diol, 2,6-dimethyl-, 1,8-diacetate is C14H22O4.
What is the molecular weight of 2,6-Octadiene-1,8-diol, 2,6-dimethyl-, 1,8-diacetate?
The molecular weight of 2,6-Octadiene-1,8-diol, 2,6-dimethyl-, 1,8-diacetate is 254.15 g/mol.
Where can I buy 2,6-Octadiene-1,8-diol, 2,6-dimethyl-, 1,8-diacetate?
You can request a quote for 2,6-Octadiene-1,8-diol, 2,6-dimethyl-, 1,8-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Octadiene-1,8-diol, 2,6-dimethyl-, 1,8-diacetate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Octadiene-1,8-diol, 2,6-dimethyl-, 1,8-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.