Propane-1,3-diylbisphosphonic acid tetraethyl ester

Catalog Number	ACM22401258-1
CAS	22401-25-8
Structure
Synonyms	1,3-bis(diethoxyphosphoryl)propane
IUPAC Name	1,3-bis(diethoxyphosphoryl)propane
Molecular Weight	316.27
Molecular Formula	C11H26O6P2
InChI	LJQJJGQRJQSYQN-UHFFFAOYSA-N
InChI Key	InChI=1S/C11H26O6P2/c1-5-14-18(12,15-6-2)10-9-11-19(13,16-7-3)17-8-4/h5-11H2,1-4H3
Boiling Point	206-227 °C at 5 mmHg
Purity	98%
Density	1.114±0.06 g/cm3
Appearance	Liquid
Isomeric SMILES	CCOP(=O)(CCCP(=O)(OCC)OCC)OCC

Q&A

What is the chemical structure of Propane-1,3-diylbisphosphonic acid tetraethyl ester?

The chemical structure of Propane-1,3-diylbisphosphonic acid tetraethyl ester is represented by the formula C11H26O6P2.

What is the CAS number of Propane-1,3-diylbisphosphonic acid tetraethyl ester?

The CAS number of Propane-1,3-diylbisphosphonic acid tetraethyl ester is 22401-25-8.

How many covalently-bonded units are there in Propane-1,3-diylbisphosphonic acid tetraethyl ester?

There is 1 covalently-bonded unit in Propane-1,3-diylbisphosphonic acid tetraethyl ester.

How many hydrogen bond acceptors are present in Propane-1,3-diylbisphosphonic acid tetraethyl ester?

There are 6 hydrogen bond acceptors present in Propane-1,3-diylbisphosphonic acid tetraethyl ester.

What is the molecular weight of Propane-1,3-diylbisphosphonic acid tetraethyl ester?

The molecular weight of Propane-1,3-diylbisphosphonic acid tetraethyl ester is 316.27g/mol.

What is the formal charge of Propane-1,3-diylbisphosphonic acid tetraethyl ester?

The formal charge of Propane-1,3-diylbisphosphonic acid tetraethyl ester is 0.

What is the canonical SMILES representation of Propane-1,3-diylbisphosphonic acid tetraethyl ester?

The canonical SMILES of Propane-1,3-diylbisphosphonic acid tetraethyl ester is CCOP(=O)(CCCP(=O)(OCC)OCC)OCC.

How many rotatable bonds are there in Propane-1,3-diylbisphosphonic acid tetraethyl ester?

There are 12 rotatable bonds in Propane-1,3-diylbisphosphonic acid tetraethyl ester.

What is the InChIKey of Propane-1,3-diylbisphosphonic acid tetraethyl ester?

The InChIKey of Propane-1,3-diylbisphosphonic acid tetraethyl ester is LJQJJGQRJQSYQN-UHFFFAOYSA-N.

What is the IUPAC name of Propane-1,3-diylbisphosphonic acid tetraethyl ester?

The IUPAC name of Propane-1,3-diylbisphosphonic acid tetraethyl ester is 1,3-bis(diethoxyphosphoryl)propane.