3,3,5-Trimethylcyclohexyl methacrylate
TL;DR: 3,3,5-Trimethylcyclohexyl methacrylate (CAS 7779-31-9) is a chemical compound with molecular formula C13H22O2 and molecular weight 210.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3,5-trimethylcyclohexyl) 2-methylprop-2-enoate
Also Known As: 3,3,5-Trimethylcyclohexyl methacrylate, 3,5,5-trimethylcyclohexyl methacrylate, (3,3,5-trimethylcyclohexyl) 2-methylprop-2-enoate, 3,3,5-trimethylcyclohexyl 2-methylprop-2-enoate, 335-Trimethylcyclohexyl methacrylate
| Molecular Formula | C13H22O2 |
|---|---|
| Molecular Weight | 210.16 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.16199 |
| Heavy Atoms | 15 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 7779-31-9 |
|---|---|
| SMILES | CC1CC(CC(C1)(C)C)OC(=O)C(=C)C |
| InChIKey | DABQKEQFLJIRHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3,5-Trimethylcyclohexyl methacrylate (CAS 7779-31-9), with molecular formula C13H22O2 and molecular weight 210.16 g/mol. IUPAC: (3,3,5-trimethylcyclohexyl) 2-methylprop-2-enoate.
Chemical Property Profile of 3,3,5-Trimethylcyclohexyl methacrylate
Property Insights of 3,3,5-Trimethylcyclohexyl methacrylate
The XLogP value of 4.2 indicates that 3,3,5-Trimethylcyclohexyl methacrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,3,5-Trimethylcyclohexyl methacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,5-Trimethylcyclohexyl methacrylate 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 3,3,5-Trimethylcyclohexyl methacrylate?
The CAS number of 3,3,5-Trimethylcyclohexyl methacrylate is 7779-31-9.
What is the molecular formula of 3,3,5-Trimethylcyclohexyl methacrylate?
The molecular formula of 3,3,5-Trimethylcyclohexyl methacrylate is C13H22O2.
What is the molecular weight of 3,3,5-Trimethylcyclohexyl methacrylate?
The molecular weight of 3,3,5-Trimethylcyclohexyl methacrylate is 210.16 g/mol.
Where can I buy 3,3,5-Trimethylcyclohexyl methacrylate?
You can request a quote for 3,3,5-Trimethylcyclohexyl methacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,5-Trimethylcyclohexyl methacrylate?
Yes, KEHONG BIO provides custom synthesis services for 3,3,5-Trimethylcyclohexyl methacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.