3,7-Dimethylocta-2,6-dienyl methyl carbonate
TL;DR: 3,7-Dimethylocta-2,6-dienyl methyl carbonate (CAS 85217-73-8) 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.
3,7-dimethylocta-2,6-dienyl methyl carbonate
Also Known As: Carbonic acid, (2E)-3,7-dimethyl-2,6-octadienyl methyl ester, Carbonic acid, (2Z)-3,7-dimethyl-2,6-octadienyl methyl ester
| Molecular Formula | C12H20O3 |
|---|---|
| Molecular Weight | 212.14 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 212.14125 |
| Heavy Atoms | 15 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 85217-73-8 |
|---|---|
| SMILES | CC(=CCCC(=CCOC(=O)OC)C)C |
| InChIKey | VOYXSBXHDSOXLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-Dimethylocta-2,6-dienyl methyl carbonate (CAS 85217-73-8), with molecular formula C12H20O3 and molecular weight 212.14 g/mol. IUPAC: 3,7-dimethylocta-2,6-dienyl methyl carbonate.
Chemical Property Profile of 3,7-Dimethylocta-2,6-dienyl methyl carbonate
Property Insights of 3,7-Dimethylocta-2,6-dienyl methyl carbonate
The XLogP value of 3.9 indicates that 3,7-Dimethylocta-2,6-dienyl methyl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 3,7-Dimethylocta-2,6-dienyl methyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethylocta-2,6-dienyl methyl carbonate 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 3,7-Dimethylocta-2,6-dienyl methyl carbonate?
The CAS number of 3,7-Dimethylocta-2,6-dienyl methyl carbonate is 85217-73-8.
What is the molecular formula of 3,7-Dimethylocta-2,6-dienyl methyl carbonate?
The molecular formula of 3,7-Dimethylocta-2,6-dienyl methyl carbonate is C12H20O3.
What is the molecular weight of 3,7-Dimethylocta-2,6-dienyl methyl carbonate?
The molecular weight of 3,7-Dimethylocta-2,6-dienyl methyl carbonate is 212.14 g/mol.
Where can I buy 3,7-Dimethylocta-2,6-dienyl methyl carbonate?
You can request a quote for 3,7-Dimethylocta-2,6-dienyl methyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dimethylocta-2,6-dienyl methyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethylocta-2,6-dienyl methyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.