(E)-3,7-dimethylocta-2,6-dien-1-yl methyl carbonate
TL;DR: (E)-3,7-dimethylocta-2,6-dien-1-yl methyl carbonate (CAS 85217-72-7) 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.
[(2E)-3,7-dimethylocta-2,6-dienyl] methyl carbonate
Also Known As: geranyl methyl carbonate, 3,7-dimethylocta-2,6-dienyl methyl carbonate, (E)-3,7-dimethylocta-2,6-dien-1-yl methyl carbonate, J1.015.576B, Carbonic acid, (2E)-3,7-dimethyl-2,6-octadienyl methyl ester
| Molecular Formula | C12H20O3 |
|---|---|
| Molecular Weight | 212.14 g/mol |
| LogP | 3.4621 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.14125 |
| Heavy Atoms | 15 |
| Complexity | 247.59285 |
Chemical Identifiers
| CAS Number | 85217-72-7 |
|---|---|
| SMILES | CC(=CCC/C(=C/COC(=O)OC)/C)C |
Product Overview
(E)-3,7-dimethylocta-2,6-dien-1-yl methyl carbonate (CAS 85217-72-7), with molecular formula C12H20O3 and molecular weight 212.14 g/mol. IUPAC: [(2E)-3,7-dimethylocta-2,6-dienyl] methyl carbonate.
Chemical Property Profile of (E)-3,7-dimethylocta-2,6-dien-1-yl methyl carbonate
Property Insights of (E)-3,7-dimethylocta-2,6-dien-1-yl methyl carbonate
The XLogP value of 3.4621 indicates that (E)-3,7-dimethylocta-2,6-dien-1-yl methyl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, (E)-3,7-dimethylocta-2,6-dien-1-yl methyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3,7-dimethylocta-2,6-dien-1-yl 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 (E)-3,7-dimethylocta-2,6-dien-1-yl methyl carbonate?
The CAS number of (E)-3,7-dimethylocta-2,6-dien-1-yl methyl carbonate is 85217-72-7.
What is the molecular formula of (E)-3,7-dimethylocta-2,6-dien-1-yl methyl carbonate?
The molecular formula of (E)-3,7-dimethylocta-2,6-dien-1-yl methyl carbonate is C12H20O3.
What is the molecular weight of (E)-3,7-dimethylocta-2,6-dien-1-yl methyl carbonate?
The molecular weight of (E)-3,7-dimethylocta-2,6-dien-1-yl methyl carbonate is 212.14 g/mol.
Where can I buy (E)-3,7-dimethylocta-2,6-dien-1-yl methyl carbonate?
You can request a quote for (E)-3,7-dimethylocta-2,6-dien-1-yl methyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3,7-dimethylocta-2,6-dien-1-yl methyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for (E)-3,7-dimethylocta-2,6-dien-1-yl methyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.