Tetraisopropyl methylenediphosphonate

Tetraisopropyl methylenediphosphonate is a chemical compound registered under number CAS 1660-95-3, with the molecular formula C₁₃H₃₀O₆P₂, and a molar mass of 344.32 g/mol.

The molecule contains 51 atoms connected by 50 chemical bonds. The full systematic IUPAC name of this compound is 2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]oxypropane. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 2 (positive value, a lipophilic compound), polar surface area PSA = 71.1 Ų, 0 donors and 6 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Molecular formula	C13H30O6P2
Masa molowa	344.32 g/mol
IUPAC	2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]oxypropane
SMILES	CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C
InChIKey	ODTQUKVFOLFLIQ-UHFFFAOYSA-N
logP (XLogP3)	2
PSA	71.1 Ų
HBD / HBA	0 / 6
PubChem CID	CID 74266 ↗

Signal word: Danger

Tetraisopropyl methylenediphosphonate · 1660-95-3 · Methylenediphosphonic acid tetraisopropyl ester · Phosphonic acid, methylenebis-, tetrakis(1-methylethyl) ester · Tetraisopropyl methylenebisphosphonate · Phosphonic acid, P,P'-methylenebis-, P,P,P',P'-tetrakis(1-methylethyl) ester · EINECS 216-765-0 · UNII-K46Y5V9U61 · DTXCID5024847 · Phosphonic acid, methylenedi-, tetraisopropyl ester · K46Y5V9U61 · tetra-i-Propylmethylenediphosphonate · NSC-226577 · NSC 226577 · ((DIISOPROPOXYPHOSPHINYL)METHYL)DIISOPROPOXYPHOSPHINE OXIDE

• 📊 PubChem CID 74266 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność