2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (2E)-
TL;DR: 2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (2E)- (CAS 24717-85-9) 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 2-methylbut-2-enoate
Also Known As: Citronellyl tiglate, (E)-citronellyl tiglate, Citronellyl tiglate, mixture of isomers, 3,7-dimethyloct-6-enyl 2-methylbut-2-enoate, Citronellyl trans-2-methyl-2-butenoate
| Molecular Formula | C15H26O2 |
|---|---|
| Molecular Weight | 238.19 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 238.19328 |
| Heavy Atoms | 17 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 24717-85-9 |
|---|---|
| SMILES | CC=C(C)C(=O)OCCC(C)CCC=C(C)C |
| InChIKey | UCFQYMKLDPWFHZ-UHFFFAOYSA-N |
Product Overview
2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (2E)- (CAS 24717-85-9), with molecular formula C15H26O2 and molecular weight 238.19 g/mol. IUPAC: 3,7-dimethyloct-6-enyl 2-methylbut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (2E)-
Property Insights of 2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (2E)-
The XLogP value of 5.0 indicates that 2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (2E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (2E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (2E)- 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 2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (2E)-?
The CAS number of 2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (2E)- is 24717-85-9.
What is the molecular formula of 2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (2E)-?
The molecular formula of 2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (2E)- is C15H26O2.
What is the molecular weight of 2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (2E)-?
The molecular weight of 2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (2E)- is 238.19 g/mol.
Where can I buy 2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (2E)-?
You can request a quote for 2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (2E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (2E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (2E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.