5-Methyl-2-(propan-2-yl)cyclohexyl 2-methylbut-2-enoate
TL;DR: 5-Methyl-2-(propan-2-yl)cyclohexyl 2-methylbut-2-enoate (CAS 67801-23-4) 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.
(5-methyl-2-propan-2-ylcyclohexyl) 2-methylbut-2-enoate
Also Known As: (5-methyl-2-propan-2-ylcyclohexyl) 2-methylbut-2-enoate, 2-Isopropyl-5-methylcyclohexyl 2-methylbut-2-enoate, 5-Methyl-2-(propan-2-yl)cyclohexyl 2-methylbut-2-enoate, 2-Butenoic acid, 2-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, RefChem:304040
| Molecular Formula | C15H26O2 |
|---|---|
| Molecular Weight | 238.19 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.19328 |
| Heavy Atoms | 17 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 67801-23-4 |
|---|---|
| SMILES | CC=C(C)C(=O)OC1CC(CCC1C(C)C)C |
| InChIKey | HCXHHVYXOBMFPA-UHFFFAOYSA-N |
Product Overview
5-Methyl-2-(propan-2-yl)cyclohexyl 2-methylbut-2-enoate (CAS 67801-23-4), with molecular formula C15H26O2 and molecular weight 238.19 g/mol. IUPAC: (5-methyl-2-propan-2-ylcyclohexyl) 2-methylbut-2-enoate.
Chemical Property Profile of 5-Methyl-2-(propan-2-yl)cyclohexyl 2-methylbut-2-enoate
Property Insights of 5-Methyl-2-(propan-2-yl)cyclohexyl 2-methylbut-2-enoate
The XLogP value of 4.8 indicates that 5-Methyl-2-(propan-2-yl)cyclohexyl 2-methylbut-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 5-Methyl-2-(propan-2-yl)cyclohexyl 2-methylbut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-(propan-2-yl)cyclohexyl 2-methylbut-2-enoate 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 5-Methyl-2-(propan-2-yl)cyclohexyl 2-methylbut-2-enoate?
The CAS number of 5-Methyl-2-(propan-2-yl)cyclohexyl 2-methylbut-2-enoate is 67801-23-4.
What is the molecular formula of 5-Methyl-2-(propan-2-yl)cyclohexyl 2-methylbut-2-enoate?
The molecular formula of 5-Methyl-2-(propan-2-yl)cyclohexyl 2-methylbut-2-enoate is C15H26O2.
What is the molecular weight of 5-Methyl-2-(propan-2-yl)cyclohexyl 2-methylbut-2-enoate?
The molecular weight of 5-Methyl-2-(propan-2-yl)cyclohexyl 2-methylbut-2-enoate is 238.19 g/mol.
Where can I buy 5-Methyl-2-(propan-2-yl)cyclohexyl 2-methylbut-2-enoate?
You can request a quote for 5-Methyl-2-(propan-2-yl)cyclohexyl 2-methylbut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-(propan-2-yl)cyclohexyl 2-methylbut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-(propan-2-yl)cyclohexyl 2-methylbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.