1,1'-Bis((2S,5S)-2,5-dimethylphospholano)ferrocene

Catalog Number	ACM162412875
CAS	162412-87-5
Structure
Synonyms	(S,S)-Methyl-Ferrocelane
IUPAC Name	(2S,5S)-1-cyclopenta-1,4-dien-1-yl-2,5-dimethylphospholane;iron(2+)
Molecular Weight	414.28
Molecular Formula	C22H32FeP2
InChI	QXXSYUGLJIMLFH-VUTIHBPYSA-N
InChI Key	InChI=1S/2C11H16P.Fe/c2*1-9-7-8-10(2)12(9)11-5-3-4-6-11;/h2*3-6,9-10H,7-8H2,1-2H3;/q2*-1;+2/t2*9-,10-;/m00./s1
Melting Point	88-99 °C
Purity	97%+
Appearance	Solid
Isomeric SMILES	C[C@H]1CC[C@@H](P1C2=C[CH-]C=C2)C.C[C@H]1CC[C@@H](P1C2=C[CH-]C=C2)C.[Fe+2]

Q&A

What is the molecular formula of 1,1-Bis((2S,5S)-2,5-dimethylphospholano)ferrocene?

The molecular formula is C30H44BF4FeP2Rh-

What is the CAS number for this compound?

The CAS number is 854275-87-9

How many hydrogen bond acceptors are present in 1,1'-Bis((2S,5S)-2,5-dimethylphospholano)ferrocene?

There are 5 hydrogen bond acceptors.

What is the complexity of 1,1'-Bis((2S,5S)-2,5-dimethylphospholano)ferrocene?

The complexity is 231.

How many covalently-bonded units are present in 1,1'-Bis((2S,5S)-2,5-dimethylphospholano)ferrocene?

There are 6 covalently-bonded units.

What is the formal charge of 1,1'-Bis((2S,5S)-2,5-dimethylphospholano)ferrocene?

The formal charge is -1.

What is the topological polar surface area of 1,1'-Bis((2S,5S)-2,5-dimethylphospholano)ferrocene?

The topological polar surface area is 0.

How many undefined atom stereocenters are present in 1,1'-Bis((2S,5S)-2,5-dimethylphospholano)ferrocene?

There are 4 undefined atom stereocenters.

What is the exact mass of 1,1'-Bis((2S,5S)-2,5-dimethylphospholano)ferrocene?

The exact mass is 712.13517.

What is the InChIKey for 1,1'-Bis((2S,5S)-2,5-dimethylphospholano)ferrocene?

The InChIKey is DTBZUERXDNPWAI-UHFFFAOYSA-N