2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione
TL;DR: 2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione (CAS 35692-98-9) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione
Also Known As: 2-Hydroxy-4-oxoisophorone, 2-hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione, 2-Cyclohexene-1,4-dione, 2-hydroxy-3,5,5-trimethyl-, 2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1,4-dione, 4-Hydroxy-1,1,3-trimethyl-3-cyclohexen-2,5-dione
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 35692-98-9 |
|---|---|
| SMILES | CC1=C(C(=O)CC(C1=O)(C)C)O |
| InChIKey | BSRFZJMVFOPNKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione (CAS 35692-98-9), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: 2-hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione.
Chemical Property Profile of 2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione
Property Insights of 2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione. With a topological polar surface area (TPSA) of 54.4 Ų, 2-Hydroxy-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-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione has 1 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-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione?
The CAS number of 2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione is 35692-98-9.
What is the molecular formula of 2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione?
The molecular formula of 2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione is C9H12O3.
What is the molecular weight of 2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione?
The molecular weight of 2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione is 168.08 g/mol.
Where can I buy 2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione?
You can request a quote for 2-Hydroxy-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-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.