3-Hydroxy-4,4-dimethyl-3-(1-methyl-3-oxobut-1-enyl)cycloheptanone
TL;DR: 3-Hydroxy-4,4-dimethyl-3-(1-methyl-3-oxobut-1-enyl)cycloheptanone (CAS 125257-74-1) is a chemical compound with molecular formula C14H22O3 and molecular weight 238.15689 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-4,4-dimethyl-3-(4-oxopent-2-en-2-yl)cycloheptan-1-one
Also Known As: 3-Hydroxy-4,4-dimethyl-3-(1-methyl-3-oxobut-1-enyl)cycloheptanone, 3-hydroxy-4,4-dimethyl-3-(4-oxopent-2-en-2-yl)cycloheptan-1-one
Technical Specifications
| Molecular Formula | C14H22O3 |
| Molecular Weight | 238.15689 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.15689 Da |
| Heavy Atoms | 17 |
| Complexity | 366.0 |
| SMILES | CC(=CC(=O)C)C1(CC(=O)CCCC1(C)C)O |
| InChIKey | BUHWWICPKIKVBG-UHFFFAOYSA-N |
Chemical Property Profile of 3-Hydroxy-4,4-dimethyl-3-(1-methyl-3-oxobut-1-enyl)cycloheptanone
Property Insights of 3-Hydroxy-4,4-dimethyl-3-(1-methyl-3-oxobut-1-enyl)cycloheptanone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-4,4-dimethyl-3-(1-methyl-3-oxobut-1-enyl)cycloheptanone. With a topological polar surface area (TPSA) of 54.4 Ų, 3-Hydroxy-4,4-dimethyl-3-(1-methyl-3-oxobut-1-enyl)cycloheptanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-4,4-dimethyl-3-(1-methyl-3-oxobut-1-enyl)cycloheptanone 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
What is the CAS number of 3-Hydroxy-4,4-dimethyl-3-(1-methyl-3-oxobut-1-enyl)cycloheptanone?
The CAS number of 3-Hydroxy-4,4-dimethyl-3-(1-methyl-3-oxobut-1-enyl)cycloheptanone is 125257-74-1.
What is the molecular formula of 3-Hydroxy-4,4-dimethyl-3-(1-methyl-3-oxobut-1-enyl)cycloheptanone?
The molecular formula of 3-Hydroxy-4,4-dimethyl-3-(1-methyl-3-oxobut-1-enyl)cycloheptanone is C14H22O3.
What is the molecular weight of 3-Hydroxy-4,4-dimethyl-3-(1-methyl-3-oxobut-1-enyl)cycloheptanone?
The molecular weight of 3-Hydroxy-4,4-dimethyl-3-(1-methyl-3-oxobut-1-enyl)cycloheptanone is 238.15689 g/mol.
Where can I buy 3-Hydroxy-4,4-dimethyl-3-(1-methyl-3-oxobut-1-enyl)cycloheptanone?
You can request a quote for 3-Hydroxy-4,4-dimethyl-3-(1-methyl-3-oxobut-1-enyl)cycloheptanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hydroxy-4,4-dimethyl-3-(1-methyl-3-oxobut-1-enyl)cycloheptanone?
Yes, CoreyChem provides custom synthesis services for 3-Hydroxy-4,4-dimethyl-3-(1-methyl-3-oxobut-1-enyl)cycloheptanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.