Mono(tetrabutylphosphonium) monomalonate

Catalog Number	ACM1196086799
CAS	1196086-79-9
Structure
IUPAC Name	propanedioate;tetrabutylphosphanium
Molecular Weight	361.48
Molecular Formula	C19H38O4P
InChI	WQTXZYHEQMEIDJ-UHFFFAOYSA-L
InChI Key	InChI=1S/2C16H36P.C3H4O4/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;4-2(5)1-3(6)7/h2*5-16H2,1-4H3;1H2,(H,4,5)(H,6,7)/q2*+1;/p-2
Melting Point	112-122 °C
Purity	98%
Isomeric SMILES	CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.C(C(=O)[O-])C(=O)[O-]

Q&A

What is the CAS number of Mono(tetrabutylphosphonium) monomalonate?

The CAS number is 1196086-79-9.

What is the molecular formula of Mono(tetrabutylphosphonium) monomalonate?

The molecular formula is C19H38O4P-.

How many heavy atoms are present in the structure of Mono(tetrabutylphosphonium) monomalonate?

There are 24 heavy atoms.

What is the molecular weight of Mono(tetrabutylphosphonium) monomalonate?

The molecular weight is 361.5 g/mol.

How many covalently-bonded units are present in Mono(tetrabutylphosphonium) monomalonate?

There are 2 covalently-bonded units.

How many rotatable bonds are present in the structure of Mono(tetrabutylphosphonium) monomalonate?

There are 12 rotatable bonds.

What is the topological polar surface area of Mono(tetrabutylphosphonium) monomalonate?

The topological polar surface area is 80.3.

What is the IUPAC name of Mono(tetrabutylphosphonium) monomalonate?

The IUPAC name is propanedioate;tetrabutylphosphanium

How many hydrogen bond acceptors are present in Mono(tetrabutylphosphonium) monomalonate?

There are 4 hydrogen bond acceptors.

What is the InChIKey of Mono(tetrabutylphosphonium) monomalonate?

The InChIKey is YTZCALRIUFUBIL-UHFFFAOYSA-L.