Ethyl (triphenylphosphoranylidene)acetate (CAS 1099-45-2)

Ethyl (triphenylphosphoranylidene)acetate (CAS 1099-45-2) is a chemical compound registered under number CAS 1099-45-2, with the molecular formula C₂₂H₂₁O₂P, and a molar mass of 348.4 g/mol.

The molecule contains 46 atoms connected by 48 chemical bonds. The full systematic IUPAC name of this compound is ethyl 2-(triphenyl-lambda5-phosphanylidene)acetate. 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 = 4.3 (positive value, a lipophilic compound), polar surface area PSA = 26.3 Ų, 0 donors and 2 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.

Wzór sumaryczny	C22H21O2P
Masa molowa	348.4 g/mol
IUPAC	ethyl 2-(triphenyl-lambda5-phosphanylidene)acetate
SMILES	CCOC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChIKey	IIHPVYJPDKJYOU-UHFFFAOYSA-N
logP (XLogP3)	4.3
PSA	26.3 Ų
HBD / HBA	0 / 2
PubChem CID	CID 70670 ↗

Sygnał: Niebezpieczeństwo

Ethyl (triphenylphosphoranylidene)acetate · (Carbethoxymethylene)triphenylphosphorane · (Ethoxycarbonylmethylene)triphenylphosphorane · NSC 72406 · Phosphorane, (carboxymethylene)triphenyl-, ethyl ester · EINECS 214-151-7 · Acetic acid, 2-(triphenylphosphoranylidene)-, ethyl ester · ((Ethoxycarbonyl)ethylidene)triphenylphosphorane · [(Ethoxycarbonyl)ethylidene]triphenylphosphorane · RefChem:552121 · Acetic acid, (triphenylphosphoranylidene), ethyl ester · Phosphorane, (carboxymethylene)triphenyl, ethyl ester · Acetic acid, 2(triphenylphosphoranylidene), ethyl ester · 214-151-7 · 1099-45-2

• 📊 PubChem CID 70670 — NIH
• 🔬 NIST WebBook — spektroskopia
• 💊 ChEMBL — bioaktywność

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