4-Hydroxy-4-methyl-5-oxohex-1-en-3-yl dimethyl phosphate
TL;DR: 4-Hydroxy-4-methyl-5-oxohex-1-en-3-yl dimethyl phosphate (CAS 154094-94-7) is a chemical compound with molecular formula C9H17O6P and molecular weight 252.07628 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-hydroxy-4-methyl-5-oxohex-1-en-3-yl) dimethyl phosphate
Also Known As: NCIOpen2_006906, 4-hydroxy-4-methyl-5-oxohex-1-en-3-yl dimethyl phosphate, (4-hydroxy-4-methyl-5-oxohex-1-en-3-yl) dimethyl phosphate, phosphoric acid 1-(1-hydroxy-1-methyl-2-oxo-propyl)-allyl ester dimethyl ester, Phosphoric acid,dimethyl ester, 4-ester with 3,4-dihydroxy-3-methyl-5-hexen-2-one (8CI)
Technical Specifications
| Molecular Formula | C9H17O6P |
| Molecular Weight | 252.07628 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 252.07628 Da |
| Heavy Atoms | 16 |
| Complexity | 307.0 |
| SMILES | CC(=O)C(C)(C(C=C)OP(=O)(OC)OC)O |
| InChIKey | RTLSPMUUWMJQRT-UHFFFAOYSA-N |
Chemical Property Profile of 4-Hydroxy-4-methyl-5-oxohex-1-en-3-yl dimethyl phosphate
Property Insights of 4-Hydroxy-4-methyl-5-oxohex-1-en-3-yl dimethyl phosphate
The XLogP value of -0.5 indicates that 4-Hydroxy-4-methyl-5-oxohex-1-en-3-yl dimethyl phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-4-methyl-5-oxohex-1-en-3-yl dimethyl phosphate. Following Lipinski's Rule of Five, 4-Hydroxy-4-methyl-5-oxohex-1-en-3-yl dimethyl phosphate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Hydroxy-4-methyl-5-oxohex-1-en-3-yl dimethyl phosphate?
The CAS number of 4-Hydroxy-4-methyl-5-oxohex-1-en-3-yl dimethyl phosphate is 154094-94-7.
What is the molecular formula of 4-Hydroxy-4-methyl-5-oxohex-1-en-3-yl dimethyl phosphate?
The molecular formula of 4-Hydroxy-4-methyl-5-oxohex-1-en-3-yl dimethyl phosphate is C9H17O6P.
What is the molecular weight of 4-Hydroxy-4-methyl-5-oxohex-1-en-3-yl dimethyl phosphate?
The molecular weight of 4-Hydroxy-4-methyl-5-oxohex-1-en-3-yl dimethyl phosphate is 252.07628 g/mol.
Where can I buy 4-Hydroxy-4-methyl-5-oxohex-1-en-3-yl dimethyl phosphate?
You can request a quote for 4-Hydroxy-4-methyl-5-oxohex-1-en-3-yl dimethyl phosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Hydroxy-4-methyl-5-oxohex-1-en-3-yl dimethyl phosphate?
Yes, CoreyChem provides custom synthesis services for 4-Hydroxy-4-methyl-5-oxohex-1-en-3-yl dimethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.