Isobutyl 10-undecenoate
TL;DR: Isobutyl 10-undecenoate (CAS 5421-27-2) is a chemical compound with molecular formula C15H28O2 and molecular weight 240.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl undec-10-enoate
Also Known As: Isobutyl 10-undecenoate, Isobutyl undecylenate, 2-methylpropyl undec-10-enoate, Isobutyl undec-10-enoate, 10-Undecenoic acid, 2-methylpropyl ester
| Molecular Formula | C15H28O2 |
|---|---|
| Molecular Weight | 240.21 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 240.20892 |
| Heavy Atoms | 17 |
| Complexity | 197.0 |
| Boiling Point | 264.00 to 266.00 °C. @ 760.00 mm Hg |
| Density | 0.868-0.873 (20°) |
| Solubility | Insoluble in water; soluble in most organic solvents |
| Refractive Index | 1.438-1.442 |
Chemical Identifiers
| CAS Number | 5421-27-2 |
|---|---|
| SMILES | CC(C)COC(=O)CCCCCCCCC=C |
| InChIKey | YXJSBTYPYXKWDB-UHFFFAOYSA-N |
Product Overview
Isobutyl 10-undecenoate (CAS 5421-27-2), with molecular formula C15H28O2 and molecular weight 240.21 g/mol. IUPAC: 2-methylpropyl undec-10-enoate.
Chemical Property Profile of Isobutyl 10-undecenoate
Property Insights of Isobutyl 10-undecenoate
The XLogP value of 5.5 indicates that Isobutyl 10-undecenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isobutyl 10-undecenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 10-undecenoate 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 Isobutyl 10-undecenoate?
The CAS number of Isobutyl 10-undecenoate is 5421-27-2.
What is the molecular formula of Isobutyl 10-undecenoate?
The molecular formula of Isobutyl 10-undecenoate is C15H28O2.
What is the molecular weight of Isobutyl 10-undecenoate?
The molecular weight of Isobutyl 10-undecenoate is 240.21 g/mol.
Where can I buy Isobutyl 10-undecenoate?
You can request a quote for Isobutyl 10-undecenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 10-undecenoate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 10-undecenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.