3,7,11-Trimethyldodeca-1,6,10-trien-3-yl 2-methylpropanoate
TL;DR: 3,7,11-Trimethyldodeca-1,6,10-trien-3-yl 2-methylpropanoate (CAS 2639-68-1) is a chemical compound with molecular formula C19H32O2 and molecular weight 292.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7,11-trimethyldodeca-1,6,10-trien-3-yl 2-methylpropanoate
Also Known As: Nerolidyl isobutyrate, Nerolidylisobutyrate, 3,7,11-trimethyldodeca-1,6,10-trien-3-yl 2-methylpropanoate, Propanoic acid, 2-methyl-, 1-ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl ester, 3,7,11-Trimethyl-1,6,10-dodecatrien-3-yl isobutyrate
| Molecular Formula | C19H32O2 |
|---|---|
| Molecular Weight | 292.24 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 292.24023 |
| Heavy Atoms | 21 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 2639-68-1 |
|---|---|
| SMILES | CC(C)C(=O)OC(C)(CCC=C(C)CCC=C(C)C)C=C |
| InChIKey | TXLYSYOKEBFFAC-UHFFFAOYSA-N |
Product Overview
3,7,11-Trimethyldodeca-1,6,10-trien-3-yl 2-methylpropanoate (CAS 2639-68-1), with molecular formula C19H32O2 and molecular weight 292.24 g/mol. IUPAC: 3,7,11-trimethyldodeca-1,6,10-trien-3-yl 2-methylpropanoate.
Chemical Property Profile of 3,7,11-Trimethyldodeca-1,6,10-trien-3-yl 2-methylpropanoate
Property Insights of 3,7,11-Trimethyldodeca-1,6,10-trien-3-yl 2-methylpropanoate
The XLogP value of 6.2 indicates that 3,7,11-Trimethyldodeca-1,6,10-trien-3-yl 2-methylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,7,11-Trimethyldodeca-1,6,10-trien-3-yl 2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7,11-Trimethyldodeca-1,6,10-trien-3-yl 2-methylpropanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,7,11-Trimethyldodeca-1,6,10-trien-3-yl 2-methylpropanoate?
The CAS number of 3,7,11-Trimethyldodeca-1,6,10-trien-3-yl 2-methylpropanoate is 2639-68-1.
What is the molecular formula of 3,7,11-Trimethyldodeca-1,6,10-trien-3-yl 2-methylpropanoate?
The molecular formula of 3,7,11-Trimethyldodeca-1,6,10-trien-3-yl 2-methylpropanoate is C19H32O2.
What is the molecular weight of 3,7,11-Trimethyldodeca-1,6,10-trien-3-yl 2-methylpropanoate?
The molecular weight of 3,7,11-Trimethyldodeca-1,6,10-trien-3-yl 2-methylpropanoate is 292.24 g/mol.
Where can I buy 3,7,11-Trimethyldodeca-1,6,10-trien-3-yl 2-methylpropanoate?
You can request a quote for 3,7,11-Trimethyldodeca-1,6,10-trien-3-yl 2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7,11-Trimethyldodeca-1,6,10-trien-3-yl 2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 3,7,11-Trimethyldodeca-1,6,10-trien-3-yl 2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.