3,7-Dimethyl-2,6-octadienyl 3-methylcrotonate
TL;DR: 3,7-Dimethyl-2,6-octadienyl 3-methylcrotonate (CAS 55066-43-8) is a chemical compound with molecular formula C15H24O2 and molecular weight 236.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethylocta-2,6-dienyl 3-methylbut-2-enoate
Also Known As: Geranyl beta,beta-dimethylacrylate, 3,7-Dimethyl-2,6-octadienyl 3-methylcrotonate, 2-Butenoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester, 2-Butenoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester, 2-Butenoic acid, 3-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-
| Molecular Formula | C15H24O2 |
|---|---|
| Molecular Weight | 236.18 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.17763 |
| Heavy Atoms | 17 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 55066-43-8 |
|---|---|
| SMILES | CC(=CCCC(=CCOC(=O)C=C(C)C)C)C |
| InChIKey | SSTYFRKINRGOEX-UHFFFAOYSA-N |
Product Overview
3,7-Dimethyl-2,6-octadienyl 3-methylcrotonate (CAS 55066-43-8), with molecular formula C15H24O2 and molecular weight 236.18 g/mol. IUPAC: 3,7-dimethylocta-2,6-dienyl 3-methylbut-2-enoate.
Chemical Property Profile of 3,7-Dimethyl-2,6-octadienyl 3-methylcrotonate
Property Insights of 3,7-Dimethyl-2,6-octadienyl 3-methylcrotonate
The XLogP value of 4.9 indicates that 3,7-Dimethyl-2,6-octadienyl 3-methylcrotonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,7-Dimethyl-2,6-octadienyl 3-methylcrotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethyl-2,6-octadienyl 3-methylcrotonate has 0 hydrogen bond donor(s) and 2 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-Dimethyl-2,6-octadienyl 3-methylcrotonate?
The CAS number of 3,7-Dimethyl-2,6-octadienyl 3-methylcrotonate is 55066-43-8.
What is the molecular formula of 3,7-Dimethyl-2,6-octadienyl 3-methylcrotonate?
The molecular formula of 3,7-Dimethyl-2,6-octadienyl 3-methylcrotonate is C15H24O2.
What is the molecular weight of 3,7-Dimethyl-2,6-octadienyl 3-methylcrotonate?
The molecular weight of 3,7-Dimethyl-2,6-octadienyl 3-methylcrotonate is 236.18 g/mol.
Where can I buy 3,7-Dimethyl-2,6-octadienyl 3-methylcrotonate?
You can request a quote for 3,7-Dimethyl-2,6-octadienyl 3-methylcrotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dimethyl-2,6-octadienyl 3-methylcrotonate?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethyl-2,6-octadienyl 3-methylcrotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.