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

Catalog Number	ACM436863502-1
CAS	436863-50-2
Structure
Synonyms	S,S-Et-Ferrocelane
IUPAC Name	1-cyclopentyl-2,5-diethylphospholane;iron
Molecular Weight	470.39
Molecular Formula	C26H40FeP2
InChI	ACHRFTIQIRSJTO-UHFFFAOYSA-N
InChI Key	InChI=1S/2C13H25P.Fe/c2*1-3-11-9-10-12(4-2)14(11)13-7-5-6-8-13;/h2*11-13H,3-10H2,1-2H3;
Melting Point	89-91 °C
Appearance	Solid
Isomeric SMILES	CCC1CCC(P1C2CCCC2)CC.CCC1CCC(P1C2CCCC2)CC.[Fe]

Q&A

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

The molecular formula is C36H70BF4FeP2Rh+2.

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

The exact mass is 810.33862 g/mol.

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

There are 4 defined atom stereocenters.

How many heavy atoms are present in the structure of 1,1'-Bis((2S,5S)-2,5-diethylphospholano)ferrocene?

There are 45 heavy atoms.

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

The synonyms include MFCD17018832 and MFCD17018833.

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

The molecular weight is 810.4 g/mol.

How many rotatable bonds are present in the structure of 1,1'-Bis((2S,5S)-2,5-diethylphospholano)ferrocene?

There are 6 rotatable bonds.

What is the Canonical SMILES representation of 1,1'-Bis((2S,5S)-2,5-diethylphospholano)ferrocene?

The Canonical SMILES is [B-](F)(F)(F)F.[CH3-].[CH3-].CCC1CCC([PH+]1C2CCCC2)CC.CCC1CCC([PH+]1C2CCCC2)CC.C1CC=CCCC=C1.[Fe].[Rh+3]

What is the name of 1,1'-Bis((2S,5S)-2,5-diethylphospholano)ferrocene in IUPAC format?

The IUPAC Name is carbanide;(1Z,5Z)-cycloocta-1,5-diene;(2R,5R)-1-cyclopentyl-2,5-diethylphospholan-1-ium;iron;rhodium(3+);tetrafluoroborate

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

The InChIKey is JWRQRLUJPVPGAO-LYUBLRROSA-P