Diethyl (3-methylcyclohexen-1-yl) phosphate
TL;DR: Diethyl (3-methylcyclohexen-1-yl) phosphate (CAS 126424-00-8) is a chemical compound with molecular formula C11H21O4P and molecular weight 248.11775 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl (3-methylcyclohexen-1-yl) phosphate
Also Known As: diethyl (3-methylcyclohexen-1-yl) phosphate, diethyl 3-methylcyclohex-1-en-1-yl phosphate, DIETHYL 3-METHYLCYCLOHEX-1-ENYLPHOSPHONATE, Phosphoric acid diethyl 3-methyl-1-cyclohexenyl ester
Technical Specifications
| Molecular Formula | C11H21O4P |
| Molecular Weight | 248.11775 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 248.11775 Da |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
| SMILES | CCOP(=O)(OCC)OC1=CC(CCC1)C |
| InChIKey | YHSHITOJABUAJE-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl (3-methylcyclohexen-1-yl) phosphate
Property Insights of Diethyl (3-methylcyclohexen-1-yl) phosphate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (3-methylcyclohexen-1-yl) phosphate. With a topological polar surface area (TPSA) of 44.8 Ų, Diethyl (3-methylcyclohexen-1-yl) phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (3-methylcyclohexen-1-yl) phosphate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diethyl (3-methylcyclohexen-1-yl) phosphate?
The CAS number of Diethyl (3-methylcyclohexen-1-yl) phosphate is 126424-00-8.
What is the molecular formula of Diethyl (3-methylcyclohexen-1-yl) phosphate?
The molecular formula of Diethyl (3-methylcyclohexen-1-yl) phosphate is C11H21O4P.
What is the molecular weight of Diethyl (3-methylcyclohexen-1-yl) phosphate?
The molecular weight of Diethyl (3-methylcyclohexen-1-yl) phosphate is 248.11775 g/mol.
Where can I buy Diethyl (3-methylcyclohexen-1-yl) phosphate?
You can request a quote for Diethyl (3-methylcyclohexen-1-yl) phosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl (3-methylcyclohexen-1-yl) phosphate?
Yes, CoreyChem provides custom synthesis services for Diethyl (3-methylcyclohexen-1-yl) phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.