2-Methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione
TL;DR: 2-Methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione (CAS 41654-27-7) is a chemical compound with molecular formula C10H14O3 and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione
Also Known As: 2-methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione, 2-methoxy-3,5,5-trimethyl-cyclohex-2-ene-1,4-dione, 2-Cyclohexene-1,4-dione, 2-methoxy-3,5,5-trimethyl-, 2-methoxy-3,5,5-trimethylcyclohex-2-en-1,4-dion, 2-Methoxy-3,5,5-trimethyl-2-cyclohexene-1,4-dione
| Molecular Formula | C10H14O3 |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.0943 |
| Heavy Atoms | 13 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 41654-27-7 |
|---|---|
| SMILES | CC1=C(C(=O)CC(C1=O)(C)C)OC |
| InChIKey | ATEVRAIEOLFIJD-UHFFFAOYSA-N |
Product Overview
2-Methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione (CAS 41654-27-7), with molecular formula C10H14O3 and molecular weight 182.09 g/mol. IUPAC: 2-methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione.
Chemical Property Profile of 2-Methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione
Property Insights of 2-Methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione has 0 hydrogen bond donor(s) and 3 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-Methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione?
The CAS number of 2-Methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione is 41654-27-7.
What is the molecular formula of 2-Methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione?
The molecular formula of 2-Methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione is C10H14O3.
What is the molecular weight of 2-Methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione?
The molecular weight of 2-Methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione is 182.09 g/mol.
Where can I buy 2-Methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione?
You can request a quote for 2-Methoxy-3,5,5-trimethylcyclohex-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-Methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.