2,3,5-Trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione
TL;DR: 2,3,5-Trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione (CAS 60404-96-8) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5-trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione
Also Known As: 2,3,5-trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione, 2,3,5-trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-di, 2,3,5-TRIMETHYL-5-(2-METHYLPROP-2-EN-1-YL)CYCLOHEX-2-ENE-1,4-DIONE, 2-CYCLOHEXENE-1,4-DIONE,2,3,5-TRIMETHYL-5-(2-METHYL-2-PROPEN-1-YL)-, RefChem:244214
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 60404-96-8 |
|---|---|
| SMILES | CC1=C(C(=O)C(CC1=O)(C)CC(=C)C)C |
| InChIKey | JPUCDGXKHSHURX-UHFFFAOYSA-N |
Product Overview
2,3,5-Trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione (CAS 60404-96-8), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 2,3,5-trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione.
Chemical Property Profile of 2,3,5-Trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione
Property Insights of 2,3,5-Trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,5-Trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 2,3,5-Trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,5-Trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione 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 2,3,5-Trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione?
The CAS number of 2,3,5-Trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione is 60404-96-8.
What is the molecular formula of 2,3,5-Trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione?
The molecular formula of 2,3,5-Trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione is C13H18O2.
What is the molecular weight of 2,3,5-Trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione?
The molecular weight of 2,3,5-Trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione is 206.13 g/mol.
Where can I buy 2,3,5-Trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione?
You can request a quote for 2,3,5-Trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5-Trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5-Trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.