2,3,6-Trimethylcyclohex-2-en-1-one
TL;DR: 2,3,6-Trimethylcyclohex-2-en-1-one (CAS 53894-33-0) is a chemical compound with molecular formula C9H14O and molecular weight 138.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,6-trimethylcyclohex-2-en-1-one
Also Known As: Trimethylcyclohexenone, Cyclohexenone, trimethyl-, 2,3,6-trimethylcyclohex-2-en-1-one, Magnesium bis(phenylamide ), 2,3,6-trimethyl-2-cyclohexen-1-one
| Molecular Formula | C9H14O |
|---|---|
| Molecular Weight | 138.10 g/mol |
| LogP | 2.3218 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.10446 |
| Heavy Atoms | 10 |
| Complexity | 188.90495 |
Chemical Identifiers
| CAS Number | 53894-33-0 |
|---|---|
| SMILES | CC1CCC(=C(C1=O)C)C |
Product Overview
2,3,6-Trimethylcyclohex-2-en-1-one (CAS 53894-33-0), with molecular formula C9H14O and molecular weight 138.10 g/mol. IUPAC: 2,3,6-trimethylcyclohex-2-en-1-one.
Chemical Property Profile of 2,3,6-Trimethylcyclohex-2-en-1-one
Property Insights of 2,3,6-Trimethylcyclohex-2-en-1-one
The XLogP value of 2.3218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,6-Trimethylcyclohex-2-en-1-one. With a topological polar surface area (TPSA) of 17.07 Ų, 2,3,6-Trimethylcyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,6-Trimethylcyclohex-2-en-1-one has 0 hydrogen bond donor(s) and 1 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 2,3,6-Trimethylcyclohex-2-en-1-one?
The CAS number of 2,3,6-Trimethylcyclohex-2-en-1-one is 53894-33-0.
What is the molecular formula of 2,3,6-Trimethylcyclohex-2-en-1-one?
The molecular formula of 2,3,6-Trimethylcyclohex-2-en-1-one is C9H14O.
What is the molecular weight of 2,3,6-Trimethylcyclohex-2-en-1-one?
The molecular weight of 2,3,6-Trimethylcyclohex-2-en-1-one is 138.10 g/mol.
Where can I buy 2,3,6-Trimethylcyclohex-2-en-1-one?
You can request a quote for 2,3,6-Trimethylcyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,6-Trimethylcyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6-Trimethylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.