1-Butanone, 3-hydroxy-1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-
TL;DR: 1-Butanone, 3-hydroxy-1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)- (CAS 125791-43-7) is a chemical compound with molecular formula C13H22O3 and molecular weight 226.15689 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-1-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)butan-1-one
Also Known As: 1-Butanone, 3-hydroxy-1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, 3-hydroxy-1-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)butan-1-one, 3-hydroxy-1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)butan-1-one, 2-Propen-1-one,1-phenyl-3-(2-phenyl-5-(phenylamino)-1,3,4-thiadiazol-3(2H)-yl), 3-HYDROXY-1-(4-HYDROXY-2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)BUTAN-1-ONE
Technical Specifications
| Molecular Formula | C13H22O3 |
| Molecular Weight | 226.15689 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.15689 Da |
| Heavy Atoms | 16 |
| Complexity | 315.0 |
| SMILES | CC1=C(C(CC(C1)O)(C)C)C(=O)CC(C)O |
| InChIKey | DHFRAVBLSUHFMP-UHFFFAOYSA-N |
Chemical Property Profile of 1-Butanone, 3-hydroxy-1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-
Property Insights of 1-Butanone, 3-hydroxy-1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butanone, 3-hydroxy-1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-. With a topological polar surface area (TPSA) of 57.5 Ų, 1-Butanone, 3-hydroxy-1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanone, 3-hydroxy-1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Butanone, 3-hydroxy-1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-?
The CAS number of 1-Butanone, 3-hydroxy-1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)- is 125791-43-7.
What is the molecular formula of 1-Butanone, 3-hydroxy-1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-?
The molecular formula of 1-Butanone, 3-hydroxy-1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)- is C13H22O3.
What is the molecular weight of 1-Butanone, 3-hydroxy-1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-?
The molecular weight of 1-Butanone, 3-hydroxy-1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)- is 226.15689 g/mol.
Where can I buy 1-Butanone, 3-hydroxy-1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-?
You can request a quote for 1-Butanone, 3-hydroxy-1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Butanone, 3-hydroxy-1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-?
Yes, CoreyChem provides custom synthesis services for 1-Butanone, 3-hydroxy-1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.