3-Hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-enone
TL;DR: 3-Hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-enone (CAS 51940-69-3) is a chemical compound with molecular formula C11H16O3 and molecular weight 196.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-en-1-one
Also Known As: 2-Cyclohexen-1-one, 3-hydroxy-5,5-dimethyl-2-(2-oxopropyl)-, 3-Hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-enone, 3-hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-en-1-one
| Molecular Formula | C11H16O3 |
|---|---|
| Molecular Weight | 196.11 g/mol |
| LogP | 2.1667 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.10994 |
| Heavy Atoms | 14 |
| Complexity | 310.49432 |
Chemical Identifiers
| CAS Number | 51940-69-3 |
|---|---|
| SMILES | CC(=O)CC1=C(CC(CC1=O)(C)C)O |
Product Overview
3-Hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-enone (CAS 51940-69-3), with molecular formula C11H16O3 and molecular weight 196.11 g/mol. IUPAC: 3-hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-en-1-one.
Chemical Property Profile of 3-Hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-enone
Property Insights of 3-Hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-enone
The XLogP value of 2.1667 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-enone. With a topological polar surface area (TPSA) of 54.37 Ų, 3-Hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-enone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-enone 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 3-Hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-enone?
The CAS number of 3-Hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-enone is 51940-69-3.
What is the molecular formula of 3-Hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-enone?
The molecular formula of 3-Hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-enone is C11H16O3.
What is the molecular weight of 3-Hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-enone?
The molecular weight of 3-Hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-enone is 196.11 g/mol.
Where can I buy 3-Hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-enone?
You can request a quote for 3-Hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-enone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-enone?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-enone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.