(3aR,8bS)-2-(2-(Diphenylphosphanyl)phenyl)-4,4-dimethyl-3a,8b-dihydro-4H-indeno[2,1-d]oxazole

Catalog Number	ACM195192484
CAS	195192-48-4
Synonyms	(3aR)-2-[2-(Diphenylphosphino)Phenyl]-4,4-Dimethyl-3abeta,8bbeta-Dihydro-4H-Indeno[2,1-D]Oxazole
IUPAC Name	[2-[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]phenyl]-diphenylphosphane
Molecular Weight	447.51
Molecular Formula	C30H26NOP
InChI	XLJCSKHVWKPAMV-NSOVKSMOSA-N
InChI Key	InChI=1S/C30H26NOP/c1-30(2)25-19-11-9-17-23(25)27-28(30)31-29(32-27)24-18-10-12-20-26(24)33(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-20,27-28H,1-2H3/t27-,28-/m0/s1
Purity	98%
Isomeric SMILES	CC1([C@@H]2[C@H](C3=CC=CC=C31)OC(=N2)C4=CC=CC=C4P(C5=CC=CC=C5)C6=CC=CC=C6)C

Q&A

What is the IUPAC name of (3aR,8bS)-2-(2-(Diphenylphosphanyl)phenyl)-4,4-dimethyl-3a,8b-dihydro-4H-indeno[2,1-d]oxazole?

The IUPAC name of (3aR,8bS)-2-(2-(Diphenylphosphanyl)phenyl)-4,4-dimethyl-3a,8b-dihydro-4H-indeno[2,1-d]oxazole is [2-[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]phenyl]-diphenylphosphane.

What is the molecular formula of (3aR,8bS)-2-(2-(Diphenylphosphanyl)phenyl)-4,4-dimethyl-3a,8b-dihydro-4H-indeno[2,1-d]oxazole?

The molecular formula is C30H26NOP.

What is the molecular weight of (3aR,8bS)-2-(2-(Diphenylphosphanyl)phenyl)-4,4-dimethyl-3a,8b-dihydro-4H-indeno[2,1-d]oxazole?

The molecular weight is 447.5 g/mol.

What is the exact mass of (3aR,8bS)-2-(2-(Diphenylphosphanyl)phenyl)-4,4-dimethyl-3a,8b-dihydro-4H-indeno[2,1-d]oxazole?

The exact mass is 447.175201451.

How many heavy atoms are present in (3aR,8bS)-2-(2-(Diphenylphosphanyl)phenyl)-4,4-dimethyl-3a,8b-dihydro-4H-indeno[2,1-d]oxazole?

There are 33 heavy atoms in (3aR,8bS)-2-(2-(Diphenylphosphanyl)phenyl)-4,4-dimethyl-3a,8b-dihydro-4H-indeno[2,1-d]oxazole.

How many hydrogen bond acceptors are present in (3aR,8bS)-2-(2-(Diphenylphosphanyl)phenyl)-4,4-dimethyl-3a,8b-dihydro-4H-indeno[2,1-d]oxazole?

There are 2 hydrogen bond acceptors.

What is the XLogP3 value of (3aR,8bS)-2-(2-(Diphenylphosphanyl)phenyl)-4,4-dimethyl-3a,8b-dihydro-4H-indeno[2,1-d]oxazole?

The XLogP3 value is 6.6.

How many rotatable bonds are present in (3aR,8bS)-2-(2-(Diphenylphosphanyl)phenyl)-4,4-dimethyl-3a,8b-dihydro-4H-indeno[2,1-d]oxazole?

There are 4 rotatable bonds.

Does (3aR,8bS)-2-(2-(Diphenylphosphanyl)phenyl)-4,4-dimethyl-3a,8b-dihydro-4H-indeno[2,1-d]oxazole contain any defined atom stereocenters?

(3aR,8bS)-2-(2-(Diphenylphosphanyl)phenyl)-4,4-dimethyl-3a,8b-dihydro-4H-indeno[2,1-d]oxazole contains 2 defined atom stereocenters.

What is the canonical SMILES representation of (3aR,8bS)-2-(2-(Diphenylphosphanyl)phenyl)-4,4-dimethyl-3a,8b-dihydro-4H-indeno[2,1-d]oxazole?

The canonical SMILES representation is CC1(C2C(C3=CC=CC=C31)OC(=N2)C4=CC=CC=C4P(C5=CC=CC=C5)C6=CC=CC=C6)C.