Tetraisopropyl methylenediphosphonate

CAS 1660-95-3  ·  C13H30O6P2  ·  MW 344.32 g/mol

Full record: Tetraisopropyl methylenediphosphonate — Safety Data Sheet →

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3D model Tetraisopropyl methylenediphosphonate, CAS 1660-95-3, molecular formula C13H30O6P2, molar mass 344.32 g/mol

Model views

  • Tetraisopropyl methylenediphosphonate (CAS 1660-95-3) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Tetraisopropyl methylenediphosphonate (CAS 1660-95-3) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Tetraisopropyl methylenediphosphonate (CAS 1660-95-3) – 2D structure, MolGod Viewer
    2D structure

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About 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC13H30O6P2
Molar mass344.32 g/mol
IUPAC2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]oxypropane
SMILESCC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C
InChIKeyODTQUKVFOLFLIQ-UHFFFAOYSA-N
logP (XLogP3)2
PSA71.1 Ų
HBD / HBA0 / 6
PubChem CIDCID 74266 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS06
GHS06
GHS07
GHS07
GHS09
GHS09

H301 — Toxic if swallowed

H302 — Harmful if swallowed

H311 — Toxic in contact with skin

H312 — Harmful in contact with skin

H318 — Causes serious eye damage

H319 — Causes serious eye irritation

H331 — Toxic if inhaled

H335 — May cause respiratory irritation

H411 — Toxic to aquatic life with long lasting effects

H412 — Harmful to aquatic life with long lasting effects

Scientific literature

Brak articles naukowych dla CAS 1660-95-3 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
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
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Tetraisopropyl methylenediphosphonate · 1660-95-3
InChIKey
ODTQUKVFOLFLIQ-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Tetraisopropyl methylenediphosphonate (CAS 1660-95-3)
License & provenance record
Tetraisopropyl methylenediphosphonate (CAS 1660-95-3) →
MolGod molecule record
Tetraisopropyl methylenediphosphonate →
Source data
PubChem CID 74266 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
921ab57dc8a3810348ba9f79e7ca69d6098cc5f4437156233122f02c66e617c2
MD5 (STL)
5ee2c0c6bfad32c579e21868cd478be9
MolGod Identification Number
MG_257-906-689-46
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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