3-(2-Hydroxy-2-methyl-propyl)-5,5-dimethyl-cyclohex-2-enone
TL;DR: 3-(2-Hydroxy-2-methyl-propyl)-5,5-dimethyl-cyclohex-2-enone (CAS 77822-60-7) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxy-2-methylpropyl)-5,5-dimethylcyclohex-2-en-1-one
Also Known As: 3-(2-Hydroxy-2-methyl-propyl)-5,5-dimethyl-cyclohex-2-enone, 3-(2-hydroxy-2-methylpropyl)-5,5-dimethylcyclohex-2-en-1-one, 3-(2-Hydroxy-2-methylpropyl)-5,5-dimethyl-2-cyclohexen-1-one #, 5,5-Dimethyl-3-(2'-hydroxy-2'-methyl-1'-propyl)-2-cyclohexen-1-on
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 77822-60-7 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)CC(C)(C)O)C |
| InChIKey | CWVNUIDJLFYAFU-UHFFFAOYSA-N |
Product Overview
3-(2-Hydroxy-2-methyl-propyl)-5,5-dimethyl-cyclohex-2-enone (CAS 77822-60-7), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: 3-(2-hydroxy-2-methylpropyl)-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 3-(2-Hydroxy-2-methyl-propyl)-5,5-dimethyl-cyclohex-2-enone
Property Insights of 3-(2-Hydroxy-2-methyl-propyl)-5,5-dimethyl-cyclohex-2-enone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Hydroxy-2-methyl-propyl)-5,5-dimethyl-cyclohex-2-enone. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(2-Hydroxy-2-methyl-propyl)-5,5-dimethyl-cyclohex-2-enone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Hydroxy-2-methyl-propyl)-5,5-dimethyl-cyclohex-2-enone has 1 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 3-(2-Hydroxy-2-methyl-propyl)-5,5-dimethyl-cyclohex-2-enone?
The CAS number of 3-(2-Hydroxy-2-methyl-propyl)-5,5-dimethyl-cyclohex-2-enone is 77822-60-7.
What is the molecular formula of 3-(2-Hydroxy-2-methyl-propyl)-5,5-dimethyl-cyclohex-2-enone?
The molecular formula of 3-(2-Hydroxy-2-methyl-propyl)-5,5-dimethyl-cyclohex-2-enone is C12H20O2.
What is the molecular weight of 3-(2-Hydroxy-2-methyl-propyl)-5,5-dimethyl-cyclohex-2-enone?
The molecular weight of 3-(2-Hydroxy-2-methyl-propyl)-5,5-dimethyl-cyclohex-2-enone is 196.15 g/mol.
Where can I buy 3-(2-Hydroxy-2-methyl-propyl)-5,5-dimethyl-cyclohex-2-enone?
You can request a quote for 3-(2-Hydroxy-2-methyl-propyl)-5,5-dimethyl-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-(2-Hydroxy-2-methyl-propyl)-5,5-dimethyl-cyclohex-2-enone?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Hydroxy-2-methyl-propyl)-5,5-dimethyl-cyclohex-2-enone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.