(3aS,8aS)-(+)-4,4,8,8-Tetrakis(3,5-di-i-propylphenyl)tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e]dioxaphosphepin

Catalog Number	ACM1422371274
CAS	1422371-27-4
IUPAC Name	(3aS,8aS)-4,4,8,8-tetrakis[3,5-di(propan-2-yl)phenyl]-2,2-dimethyl-6-phenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepine
Molecular Weight	909.27
Molecular Formula	C61H81O4P
InChI	AYBKPJJNIOLFCE-YQOHNZFASA-N
InChI Key	InChI=1S/C61H81O4P/c1-36(2)44-24-45(37(3)4)29-52(28-44)60(53-30-46(38(5)6)25-47(31-53)39(7)8)57-58(63-59(17,18)62-57)61(65-66(64-60)56-22-20-19-21-23-56,54-32-48(40(9)10)26-49(33-54)41(11)12)55-34-50(42(13)14)27-51(35-55)43(15)16/h19-43,57-58H,1-18H3/t57-,58-/m0/s1
Boiling Point	764.8±60.0 °C(Predicted)
Appearance	Solid
Isomeric SMILES	CC(C)C1=CC(=CC(=C1)C2([C@@H]3[C@@H](C(OP(O2)C4=CC=CC=C4)(C5=CC(=CC(=C5)C(C)C)C(C)C)C6=CC(=CC(=C6)C(C)C)C(C)C)OC(O3)(C)C)C7=CC(=CC(=C7)C(C)C)C(C)C)C(C)C

Q&A

What is the molecular formula of (3aS,8aS)-(+)-4,4,8,8-Tetrakis(3,5-di-i-propylphenyl)tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e]dioxaphosphepin?

The molecular formula is C61H81O4P.

What is the molecular weight of (3aS,8aS)-(+)-4,4,8,8-Tetrakis(3,5-di-i-propylphenyl)tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e]dioxaphosphepin?

The molecular weight is 909.3g/mol.

What is the exact mass of (3aS,8aS)-(+)-4,4,8,8-Tetrakis(3,5-di-i-propylphenyl)tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e]dioxaphosphepin?

The exact mass is 908.58724806.

How many hydrogen bond acceptors does (3aS,8aS)-(+)-4,4,8,8-Tetrakis(3,5-di-i-propylphenyl)tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e]dioxaphosphepin have?

(3aS,8aS)-(+)-4,4,8,8-Tetrakis(3,5-di-i-propylphenyl)tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e]dioxaphosphepin has 4 hydrogen bond acceptors.

What is the Canonical SMILES of (3aS,8aS)-(+)-4,4,8,8-Tetrakis(3,5-di-i-propylphenyl)tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e]dioxaphosphepin?

CC(C)C1=CC(=CC(=C1)C2(C3C(C(OP(O2)C4=CC=CC=C4)(C5=CC(=CC(=C5)C(C)C)C(C)C)C6=CC(=CC(=C6)C(C)C)C(C)C)OC(O3)(C)C)C7=CC(=CC(=C7)C(C)C)C(C)C)C(C)C.

What is the InChIKey of (3aS,8aS)-(+)-4,4,8,8-Tetrakis(3,5-di-i-propylphenyl)tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e]dioxaphosphepin?

AYBKPJJNIOLFCE-YQOHNZFASA-N.

How many defined atom stereocenters does (3aS,8aS)-(+)-4,4,8,8-Tetrakis(3,5-di-i-propylphenyl)tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e]dioxaphosphepin have?

(3aS,8aS)-(+)-4,4,8,8-Tetrakis(3,5-di-i-propylphenyl)tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e]dioxaphosphepin has 2 defined atom stereocenters.

What is the Depositor-Supplied Synonym for (3aS,8aS)-(+)-4,4,8,8-Tetrakis(3,5-di-i-propylphenyl)tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e]dioxaphosphepin?

(3aS,8aS)-(+)-4,4,8,8-Tetrakis(3,5-di-i-propylphenyl)tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e]dioxaphosphepin.

What is the Computed Properties Rotatable Bond Count of (3aS,8aS)-(+)-4,4,8,8-Tetrakis(3,5-di-i-propylphenyl)tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e]dioxaphosphepin?

(3aS,8aS)-(+)-4,4,8,8-Tetrakis(3,5-di-i-propylphenyl)tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e]dioxaphosphepin has a Rotatable Bond Count of 13.

What is the Computed Properties XLogP3 of (3aS,8aS)-(+)-4,4,8,8-Tetrakis(3,5-di-i-propylphenyl)tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e]dioxaphosphepin?

The XLogP3 is 16.7.