(3R,3'R)-3,3'-Di-tert-butyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole

Catalog Number	ACM2214207733
CAS	2214207-73-3
Structure
Synonyms	(3R,3'R)-BABIBOP; (3R)-3-tert-butyl-4-[(3R)-3-tert-butyl-2H-1,3-benzoxaphosphol-4-yl]-2H-1,3-benzoxaphosphole
IUPAC Name	(3R)-3-tert-butyl-4-[(3R)-3-tert-butyl-2H-1,3-benzoxaphosphol-4-yl]-2H-1,3-benzoxaphosphole
Molecular Weight	386.41
Molecular Formula	C22H28O2P2
InChI	CKHIWGYUNCCXKO-UIOOFZCWSA-N
InChI Key	InChI=1S/C22H28O2P2/c1-21(2,3)25-13-23-17-11-7-9-15(19(17)25)16-10-8-12-18-20(16)26(14-24-18)22(4,5)6/h7-12H,13-14H2,1-6H3/t25-,26-/m0/s1
Boiling Point	528.0±50.0 °C(Predicted)
Purity	97%
Appearance	Solid
Isomeric SMILES	CC(C)(C)[P@]1COC2=CC=CC(=C21)C3=C4C(=CC=C3)OC[P@@]4C(C)(C)C

Q&A

What is the molecular formula of (3R,3'R)-3,3'-Di-tert-butyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole?

The molecular formula is C22H28O2P2.

What is the molecular weight of (3R,3'R)-3,3'-Di-tert-butyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole?

The molecular weight is 386.4 g/mol.

What is the Canonical SMILES of (3R,3'R)-3,3'-Di-tert-butyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole?

The Canonical SMILES is CC(C)(C)P1COC2=CC=CC(=C21)C3=C4C(=CC=C3)OCP4C(C)(C)C.

How many heavy atoms are present in (3R,3'R)-3,3'-Di-tert-butyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole?

There are 26 heavy atoms in the compound.

What is the XLogP3 value of (3R,3'R)-3,3'-Di-tert-butyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole?

The XLogP3 value is 4.3.

What is the InChIKey of (3R,3'R)-3,3'-Di-tert-butyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole?

The InChIKey is CKHIWGYUNCCXKO-UIOOFZCWSA-N.

How many rotatable bonds are present in (3R,3'R)-3,3'-Di-tert-butyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole?

There are 3 rotatable bonds in the compound.

What is the IUPAC Name of (3R,3'R)-3,3'-Di-tert-butyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole?

The IUPAC Name is (3R)-3-tert-butyl-4-[(3R)-3-tert-butyl-2H-1,3-benzoxaphosphol-4-yl]-2H-1,3-benzoxaphosphole.

What is the Exact Mass of (3R,3'R)-3,3'-Di-tert-butyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole?

The Exact Mass is 386.15645413.

What is the Depositor-Supplied Synonym for (3R,3'R)-3,3'-Di-tert-butyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole?

The Depositor-Supplied Synonym is (3R,3'R)-3,3'-di-tert-Butyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole.