Phosphonic acid, pentamethylenedi-, tetraethyl ester structure

Phosphonic acid, pentamethylenedi-, tetraethyl ester

1,5-bis(diethoxyphosphoryl)pentane

Also Known As: 1,5-bis(diethoxyphosphoryl)pentane|Tetraethyl pentane-1,5-diphosphonate|1,5-Pentanediylbisphosphonicacidtetraethylester|pentanediyl-bis-phosphonic acid tetraethyl ester|Phosphonic acid, pentamethylenedi-, tetraethyl ester|diethyl [5-(diethoxyphosphoryl)pentyl]phosphonate|1,5-Pentanediylbisphosphonic acid tetraethyl ester|Phosphonic acid, 1,5-pentanediylbis-, tetraethyl ester

CAS: 21458-48-0
Molecular Formula C13H30O6P2
Molecular Weight 344.15176 g/mol
LogP 1.3
Topological Polar Surface Area 71.1 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 14
Exact Mass 344.15176
Monoisotopic Mass 344.15176
Heavy Atoms 21
Complexity 296.0

Chemical Identifiers

CAS Number 21458-48-0
SMILES CCOP(=O)(CCCCCP(=O)(OCC)OCC)OCC
InChIKey PXENFFWRESSVJC-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.

Pharmaceutical Intermediates (1 patents)

Product Overview

Phosphonic acid, pentamethylenedi-, tetraethyl ester (CAS 21458-48-0), with molecular formula C13H30O6P2 and molecular weight 344.15176 g/mol. IUPAC: 1,5-bis(diethoxyphosphoryl)pentane.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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