Octyl 3-methyl-2-butenoate
TL;DR: Octyl 3-methyl-2-butenoate (CAS 6743-27-7) is a chemical compound with molecular formula C13H24O2 and molecular weight 212.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 3-methylbut-2-enoate
Also Known As: Octyl 3-methyl-2-butenoate, octyl 3-methylbut-2-enoate, octyl 3,3-dimethylacrylate, Octyl 3-methyl-2-butenoate #, 3-Methyl-2-butenoic acid, octyl ester
| Molecular Formula | C13H24O2 |
|---|---|
| Molecular Weight | 212.18 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 212.17763 |
| Heavy Atoms | 15 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 6743-27-7 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C=C(C)C |
| InChIKey | CGXFKFDCJMCOKO-UHFFFAOYSA-N |
Product Overview
Octyl 3-methyl-2-butenoate (CAS 6743-27-7), with molecular formula C13H24O2 and molecular weight 212.18 g/mol. IUPAC: octyl 3-methylbut-2-enoate.
Chemical Property Profile of Octyl 3-methyl-2-butenoate
Property Insights of Octyl 3-methyl-2-butenoate
The XLogP value of 4.9 indicates that Octyl 3-methyl-2-butenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Octyl 3-methyl-2-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 3-methyl-2-butenoate 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 Octyl 3-methyl-2-butenoate?
The CAS number of Octyl 3-methyl-2-butenoate is 6743-27-7.
What is the molecular formula of Octyl 3-methyl-2-butenoate?
The molecular formula of Octyl 3-methyl-2-butenoate is C13H24O2.
What is the molecular weight of Octyl 3-methyl-2-butenoate?
The molecular weight of Octyl 3-methyl-2-butenoate is 212.18 g/mol.
Where can I buy Octyl 3-methyl-2-butenoate?
You can request a quote for Octyl 3-methyl-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl 3-methyl-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Octyl 3-methyl-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.