1,1'-Bis((2R,5R)-2,5-diisopropylphospholano)ferrocene

Catalog Number	ACM849950545-1
CAS	849950-54-5
Structure
Synonyms	(R,R)-Isopropyl-Ferrocelane
IUPAC Name	(2R,5R)-1-cyclopenta-1,4-dien-1-yl-2,5-di(propan-2-yl)phospholane;iron(2+)
Molecular Weight	518.43
Molecular Formula	C30H40FeP2
InChI	RNAIPFYGOQYYTF-CNFAWKLCSA-N
InChI Key	InChI=1S/2C15H24P.Fe/c2*1-11(2)14-9-10-15(12(3)4)16(14)13-7-5-6-8-13;/h2*5-8,11-12,14-15H,9-10H2,1-4H3;/q2*-1;+2/t2*14-,15-;/m11./s1
Melting Point	70-74 °C
Purity	97%
Appearance	Solid
Isomeric SMILES	CC(C)[C@H]1CC[C@@H](P1C2=C[CH-]C=C2)C(C)C.CC(C)[C@H]1CC[C@@H](P1C2=C[CH-]C=C2)C(C)C.[Fe+2]

Q&A

What is the molecular formula of 1,1'-Bis((2R,5R)-2,5-diisopropylphospholano)ferrocene?

The molecular formula is C30H48FeP2.

What is the molecular weight of 1,1'-Bis((2R,5R)-2,5-diisopropylphospholano)ferrocene?

The molecular weight is 526.5 g/mol.

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

There are 3 covalently-bonded units.

How many defined atom stereocenters are there in 1,1'-Bis((2R,5R)-2,5-diisopropylphospholano)ferrocene?

There are 4 defined atom stereocenters.

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

The topological polar surface area is 0.

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

The exact mass is 526.258061.

What is the canonical SMILES representation of 1,1'-Bis((2R,5R)-2,5-diisopropylphospholano)ferrocene?

The canonical SMILES are CC(C)C1CCC(P1[C]2[CH][CH][CH][CH]2)C(C)C.CC(C)C1CCC(P1[C]2[CH][CH][CH][CH]2)C(C)C.[Fe].

What is the InChIKey of 1,1'-Bis((2R,5R)-2,5-diisopropylphospholano)ferrocene?

The InChIKey is CIIWEDVVKXIYFL-CNFAWKLCSA-N.

How many rotatable bonds are present in 1,1'-Bis((2R,5R)-2,5-diisopropylphospholano)ferrocene?

There are 6 rotatable bonds.

What are some depositor-supplied synonyms for 1,1'-Bis((2R,5R)-2,5-diisopropylphospholano)ferrocene?

One of the synonyms is 1,1'-Bis[(2R,5R)-2,5-diisopropylphospholano]ferrocene.