(2R,3R)-3-(Tert-butyl)-4-(2,6 -dimethoxyphenyl)-2-methyl -2,3-dihydrobenzo[d][1,3]oxaphosphole

Catalog Number	ACM1477517182
CAS	1477517-18-2
Structure
Synonyms	(2R,3R)-Me-BIDIME
IUPAC Name	(2R)-3-tert-butyl-4-(2,6-dimethoxyphenyl)-2-methyl-2H-1,3-benzoxaphosphole
Molecular Weight	344.38
Molecular Formula	C20H25O3P
InChI	MWVWXQBMRNEOBK-SGZRZGDHSA-N
InChI Key	InChI=1S/C20H25O3P/c1-13-23-17-12-7-9-14(19(17)24(13)20(2,3)4)18-15(21-5)10-8-11-16(18)22-6/h7-13H,1-6H3/t13-,24?/m1/s1
Boiling Point	429.6±45.0 °C(Predicted)
Purity	97%
Appearance	Solid
Isomeric SMILES	C[C@@H]1OC2=CC=CC(=C2P1C(C)(C)C)C3=C(C=CC=C3OC)OC

Q&A

What is the molecular formula of (2R,3R)-3-(Tert-butyl)-4-(2,6 -dimethoxyphenyl)-2-methyl -2,3-dihydrobenzo[d][1,3]oxaphosphole?

The molecular formula is C20H25O3P.

What is the molecular weight of (2R,3R)-3-(Tert-butyl)-4-(2,6 -dimethoxyphenyl)-2-methyl -2,3-dihydrobenzo[d][1,3]oxaphosphole?

The molecular weight is 344.4g/mol.

What is the exact mass of (2R,3R)-3-(Tert-butyl)-4-(2,6 -dimethoxyphenyl)-2-methyl -2,3-dihydrobenzo[d][1,3]oxaphosphole?

The exact mass is 344.15413165.

What is the Canonical SMILES of (2R,3R)-3-(Tert-butyl)-4-(2,6 -dimethoxyphenyl)-2-methyl -2,3-dihydrobenzo[d][1,3]oxaphosphole?

The Canonical SMILES is CC1OC2=CC=CC(=C2P1C(C)(C)C)C3=C(C=CC=C3OC)OC.

How many defined atom stereocenters does (2R,3R)-3-(Tert-butyl)-4-(2,6 -dimethoxyphenyl)-2-methyl -2,3-dihydrobenzo[d][1,3]oxaphosphole have?

(2R,3R)-3-(Tert-butyl)-4-(2,6 -dimethoxyphenyl)-2-methyl -2,3-dihydrobenzo[d][1,3]oxaphosphole has 2 defined atom stereocenters.

How many rotatable bonds are present in (2R,3R)-3-(Tert-butyl)-4-(2,6 -dimethoxyphenyl)-2-methyl -2,3-dihydrobenzo[d][1,3]oxaphosphole?

There are 4 rotatable bonds in (2R,3R)-3-(Tert-butyl)-4-(2,6 -dimethoxyphenyl)-2-methyl -2,3-dihydrobenzo[d][1,3]oxaphosphole.

What is the IUPAC Name of (2R,3R)-3-(Tert-butyl)-4-(2,6 -dimethoxyphenyl)-2-methyl -2,3-dihydrobenzo[d][1,3]oxaphosphole?

The IUPAC Name is (2R,3R)-3-tert-butyl-4-(2,6-dimethoxyphenyl)-2-methyl-2H-1,3-benzoxaphosphole.

What is the InChIKey of (2R,3R)-3-(Tert-butyl)-4-(2,6 -dimethoxyphenyl)-2-methyl -2,3-dihydrobenzo[d][1,3]oxaphosphole?

The InChIKey is MWVWXQBMRNEOBK-OZAJXLCCSA-N.

How many hydrogen bond acceptors does (2R,3R)-3-(Tert-butyl)-4-(2,6 -dimethoxyphenyl)-2-methyl -2,3-dihydrobenzo[d][1,3]oxaphosphole have?

(2R,3R)-3-(Tert-butyl)-4-(2,6 -dimethoxyphenyl)-2-methyl -2,3-dihydrobenzo[d][1,3]oxaphosphole has 3 hydrogen bond acceptors.

What is the topological polar surface area of (2R,3R)-3-(Tert-butyl)-4-(2,6 -dimethoxyphenyl)-2-methyl -2,3-dihydrobenzo[d][1,3]oxaphosphole?

The topological polar surface area is 27.7.