(3,3-Dimethylcyclohexen-1-yl) diethyl phosphate
TL;DR: (3,3-Dimethylcyclohexen-1-yl) diethyl phosphate (CAS 109467-69-8) is a chemical compound with molecular formula C12H23O4P and molecular weight 262.1334 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,3-dimethylcyclohexen-1-yl) diethyl phosphate
Also Known As: Diethyl 3,3-dimethylcyclohex-1-enylphosphonate, (3,3-dimethylcyclohexen-1-yl) diethyl phosphate
Technical Specifications
| Molecular Formula | C12H23O4P |
| Molecular Weight | 262.1334 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 262.1334 Da |
| Heavy Atoms | 17 |
| Complexity | 312.0 |
| SMILES | CCOP(=O)(OCC)OC1=CC(CCC1)(C)C |
| InChIKey | VVRQVRIMTLVMRN-UHFFFAOYSA-N |
Chemical Property Profile of (3,3-Dimethylcyclohexen-1-yl) diethyl phosphate
Property Insights of (3,3-Dimethylcyclohexen-1-yl) diethyl phosphate
The XLogP value of 3.0 indicates that (3,3-Dimethylcyclohexen-1-yl) diethyl phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, (3,3-Dimethylcyclohexen-1-yl) diethyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,3-Dimethylcyclohexen-1-yl) diethyl 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 (3,3-Dimethylcyclohexen-1-yl) diethyl phosphate?
The CAS number of (3,3-Dimethylcyclohexen-1-yl) diethyl phosphate is 109467-69-8.
What is the molecular formula of (3,3-Dimethylcyclohexen-1-yl) diethyl phosphate?
The molecular formula of (3,3-Dimethylcyclohexen-1-yl) diethyl phosphate is C12H23O4P.
What is the molecular weight of (3,3-Dimethylcyclohexen-1-yl) diethyl phosphate?
The molecular weight of (3,3-Dimethylcyclohexen-1-yl) diethyl phosphate is 262.1334 g/mol.
Where can I buy (3,3-Dimethylcyclohexen-1-yl) diethyl phosphate?
You can request a quote for (3,3-Dimethylcyclohexen-1-yl) diethyl phosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3,3-Dimethylcyclohexen-1-yl) diethyl phosphate?
Yes, CoreyChem provides custom synthesis services for (3,3-Dimethylcyclohexen-1-yl) diethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.