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

Catalog Number	ACM540475738-1
CAS	540475-73-8
Synonyms	(S,S)-Isopropyl-Ferrocelane
IUPAC Name	1-cyclopenta-1,3-dien-1-yl-2,5-di(propan-2-yl)phospholane;iron(2+)
Molecular Weight	518.43
Molecular Formula	C30H40FeP2
InChI	RNAIPFYGOQYYTF-UHFFFAOYSA-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
Melting Point	69.1-73.0 °C
Purity	98%+
Appearance	Solid
Isomeric SMILES	CC(C)C1CCC(P1C2=CC=C[CH-]2)C(C)C.CC(C)C1CCC(P1C2=CC=C[CH-]2)C(C)C.[Fe+2]

Q&A

How many heavy atoms are present in 1,1'-Bis((2S,5S)-2,5-diisopropylphospholano)ferrocene?

There are 47 heavy atoms in the compound.

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

The molecular weight is 824.4g/mol.

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

There are 6 covalently-bonded units in the compound.

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

The formal charge is -1.

How many hydrogen bond acceptors are there in the compound?

There are 5 hydrogen bond acceptors.

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

The InChIKey is UKUJMTBLXJURSB-GXBDDWAESA-N.

What is the canonical SMILES representation of the compound?

[B-](F)(F)(F)F.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.C1CC=CCCC=C1.[Fe].[Rh]

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

Some synonyms include 854920-94-8 and MFCD15144872.

What is the exact mass of the compound?

The exact mass is 824.26037.