1-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)piperidine

Catalog Number	ACM213843959
CAS	213843-95-9
Structure
Synonyms	Piperidine, 1-[(3aR,8aR)-tetrahydro-2,2-dimethyl-4,4,8,8-tetraphenyl-1,3-dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl]-
IUPAC Name	1-(2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)piperidine
Molecular Weight	579.66
Molecular Formula	C36H38NO4P
InChI	YNJHXVYWHUZOAG-UHFFFAOYSA-N
InChI Key	InChI=1S/C36H38NO4P/c1-34(2)38-32-33(39-34)36(30-22-12-5-13-23-30,31-24-14-6-15-25-31)41-42(37-26-16-7-17-27-37)40-35(32,28-18-8-3-9-19-28)29-20-10-4-11-21-29/h3-6,8-15,18-25,32-33H,7,16-17,26-27H2,1-2H3
Boiling Point	613.6±55.0 °C(Predicted)
Purity	97%
Isomeric SMILES	CC1(OC2C(O1)C(OP(OC2(C3=CC=CC=C3)C4=CC=CC=C4)N5CCCCC5)(C6=CC=CC=C6)C7=CC=CC=C7)C
pKa	2.04±0.20(Predicted)

Q&A

What is the molecular formula of 1-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)piperidine?

The molecular formula of 1-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)piperidine is C36H38NO4P.

What is the molecular weight of 1-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)piperidine?

The molecular weight of 1-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)piperidine is 579.7g/mol.

What is the Exact Mass of 1-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)piperidine?

The Exact Mass of 1-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)piperidine is 579.25384569.

How many heavy atoms are present in 1-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)piperidine?

There are 42 heavy atoms in 1-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)piperidine.

What is the Canonical SMILES notation of 1-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)piperidine?

The Canonical SMILES notation of 1-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)piperidine is CC1(OC2C(O1)C(OP(OC2(C3=CC=CC=C3)C4=CC=CC=C4)N5CCCCC5)(C6=CC=CC=C6)C7=CC=CC=C7)C.

How many hydrogen bond acceptors are present in 1-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)piperidine?

There are 5 hydrogen bond acceptors in 1-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)piperidine.

What is the InChIKey of 1-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)piperidine?

The InChIKey of 1-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)piperidine is YNJHXVYWHUZOAG-CZNDPXEESA-N.

What is the XLogP3 value of 1-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)piperidine?

The XLogP3 value of 1-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)piperidine is 7.2.

What is the Computed Properties Rotatable Bond Count of 1-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)piperidine?

The Computed Properties Rotatable Bond Count of 1-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)piperidine is 5.

What are some Depositor-Supplied Synonyms for 1-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)piperidine?

Some Depositor-Supplied Synonyms for 1-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)piperidine include 213843-95-9, CS-0087686, and F75416.