Tetraethyl methylenediphosphonate

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CAT#:0024-sc-253663Size:5 mL

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CAS Number

1660-94-2

Chemical Information

Tetraethyl methylenediphosphonate

CAS Number	1660-94-2
PubChem CID	15455
IUPAC Name	1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane
Molecular Formula	C9H22O6P2
Molecular Weight	288.21
XLogP	0.3
Topological Polar Surface Area	71.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Heavy Atom Count	17
Formal Charge	0
Complexity	245

SMILES

CCOP(=O)(CP(=O)(OCC)OCC)OCC

InChI

InChI=1S/C9H22O6P2/c1-5-12-16(10,13-6-2)9-17(11,14-7-3)15-8-4/h5-9H2,1-4H3

InChIKey

STJWVOQLJPNAQL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1660-94-2

CID: 15455

Formula: C9H22O6P2

MW: 288.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.21
XLogP3	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	288.08916241
Monoisotopic Mass	288.08916241
Topological Polar Surface Area	71.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	245
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-499373	Tetramethyl methylenediphosphonate
sc-229425	Tetraisopropyl methylenediphosphonate
sc-251172B	Tetraethyl pyrophosphite
sc-208429	Tetraethyl Difluoromethylenebisphosphonate
sc-472580	Tetraethyl Thionopyrophosphate
sc-253664	Tetraethyl orthosilicate
sc-251172A	Tetraethyl pyrophosphite
sc-481547	Tetraethyl ranelate
sc-251172	Tetraethyl pyrophosphite
sc-251171	Tetraethyl orthocarbonate

Catalog	Name
FT73261-01	Tetraisopropyl methylenediphosphonate
T83299-01	5′-Guanylyl methylenediphosphonate sodium
OR1043446-01	Tetrakis[ (pivaloyloxy) methyl] methylenediphosphonate
FT28078-01	Tetraethyl difluoromethylenebisphosphonate
290656-01	Tetraethyl ranelate
467327-01	Tetraethyl Pyrophosphite
FT38792-01	Tetraethyl orthocarbonate
467328-01	Tetraethyl Thionopyrophosphate
166758	Tetraethyl Methylidenebisphosphonate
G01430-01	Germanium Tetraethyl