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

Catalog Number	ACM1226898276-1
CAS	1226898-27-6
Structure
Synonyms	(R)-4-tert-Butyl-2-[(SP)-2-(diphenylphosphino)ferrocenyl]-2-oxazoline
Molecular Weight	495.38
Molecular Formula	C29H30FeNOP
InChI	PIKHGGNXFQMMMR-UHFFFAOYSA-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;
Purity	98%
Appearance	Solid
Isomeric SMILES	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]
Type	POx

Q&A

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

The molecular formula of (2S)-1-[(4R)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene is C29H30FeNOP.

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

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

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

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

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

The canonical SMILES representation of (2S)-1-[(4R)-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]

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

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

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

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

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

Yes, (2S)-1-[(4R)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene is chiral as it has 1 defined atom stereocenter count.

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

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

Are there any hydrogen bond donor counts in (2S)-1-[(4R)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene?

There are no hydrogen bond donor counts in (2S)-1-[(4R)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene.