(2R)-1-[(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene

Catalog Number	ACM163169151-1
CAS	163169-15-1
Structure
IUPAC Name	[(5Z)-5-[(4S)-4-tert-butyl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]-diphenylphosphane;cyclopenta-1,3-diene;iron(2+)
Molecular Weight	495.37
Molecular Formula	C29H30FeNOP
InChI	JTWUNUBQGSFMMO-OUSRXUMRSA-N
InChI Key	InChI=1S/C24H25NOP.C5H5.Fe/c1-24(2,3)22-17-26-23(25-22)20-15-10-16-21(20)27(18-11-6-4-7-12-18)19-13-8-5-9-14-19;1-2-4-5-3-1;/h4-16,22H,17H2,1-3H3;1-5H;/q2*-1;+2/b23-20-;;/t22-;;/m1../s1
Melting Point	127 °C
Appearance	Solid
Isomeric SMILES	CC(C)(C)[C@H]1CO/C(=C\2/C=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)/[N-]1.[CH-]1C=CC=C1.[Fe+2]
Type	POx

Q&A

What is the molecular weight of (2R)-1-[(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene?

The molecular weight of (2R)-1-[(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene is 495.4g/mol.

How many heavy atoms are present in (2R)-1-[(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene?

There are 33 heavy atoms present in (2R)-1-[(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene.

What is the canonical SMILES representation of (2R)-1-[(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene?

The canonical SMILES representation of (2R)-1-[(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene is CC(C)(C)C1COC(=N1)[C]2[CH][CH][CH][C]2P(C3=CC=CC=C3)C4=CC=CC=C4.[CH]1[CH][CH][CH][CH]1.[Fe]

How many covalently-bonded units are there in (2R)-1-[(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene?

There are 3 covalently-bonded units in (2R)-1-[(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene.

What is the exact mass of (2R)-1-[(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene?

The exact mass of (2R)-1-[(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene is 495.141437.

How many hydrogen bond acceptors are present in (2R)-1-[(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene?

There are 2 hydrogen bond acceptors present in (2R)-1-[(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene.

What is the InChIKey of (2R)-1-[(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene?

The InChIKey of (2R)-1-[(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene is PIKHGGNXFQMMMR-UHFFFAOYSA-N.

How many rotatable bonds are present in (2R)-1-[(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene?

There are 5 rotatable bonds present in (2R)-1-[(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene.

What is the complexity of (2R)-1-[(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene?

The complexity of (2R)-1-[(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene is 507.