3,7-Dimethyl-6-octenyl 2-methylisocrotonate
TL;DR: 3,7-Dimethyl-6-octenyl 2-methylisocrotonate (CAS 84254-89-7) is a chemical compound with molecular formula C15H26O2 and molecular weight 238.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyloct-6-enyl (Z)-2-methylbut-2-enoate
Also Known As: Citronellyl tiglate, E-Citronellyl tiglate, 3,7-Dimethyl-6-octenyl 2-methylisocrotonate, Tiglic acid citronellyl ester, EINECS 282-535-1
| Molecular Formula | C15H26O2 |
|---|---|
| Molecular Weight | 238.19 g/mol |
| LogP | 4.2684 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 238.19328 |
| Heavy Atoms | 17 |
| Complexity | 283.29694 |
Chemical Identifiers
| CAS Number | 84254-89-7 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)OCCC(C)CCC=C(C)C |
Product Overview
3,7-Dimethyl-6-octenyl 2-methylisocrotonate (CAS 84254-89-7), with molecular formula C15H26O2 and molecular weight 238.19 g/mol. IUPAC: 3,7-dimethyloct-6-enyl (Z)-2-methylbut-2-enoate.
Chemical Property Profile of 3,7-Dimethyl-6-octenyl 2-methylisocrotonate
Property Insights of 3,7-Dimethyl-6-octenyl 2-methylisocrotonate
The XLogP value of 4.2684 indicates that 3,7-Dimethyl-6-octenyl 2-methylisocrotonate 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-6-octenyl 2-methylisocrotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethyl-6-octenyl 2-methylisocrotonate 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-6-octenyl 2-methylisocrotonate?
The CAS number of 3,7-Dimethyl-6-octenyl 2-methylisocrotonate is 84254-89-7.
What is the molecular formula of 3,7-Dimethyl-6-octenyl 2-methylisocrotonate?
The molecular formula of 3,7-Dimethyl-6-octenyl 2-methylisocrotonate is C15H26O2.
What is the molecular weight of 3,7-Dimethyl-6-octenyl 2-methylisocrotonate?
The molecular weight of 3,7-Dimethyl-6-octenyl 2-methylisocrotonate is 238.19 g/mol.
Where can I buy 3,7-Dimethyl-6-octenyl 2-methylisocrotonate?
You can request a quote for 3,7-Dimethyl-6-octenyl 2-methylisocrotonate 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-6-octenyl 2-methylisocrotonate?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethyl-6-octenyl 2-methylisocrotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.