4,5-Bis(dicyclohexylphosphino)-9,10a-dihydro-9,9-dimethyl-8aH-xanthene

Catalog Number	ACM940934474-1
CAS	940934-47-4
Structure
Synonyms	4,5-Bis(dicyclohexylphosphino)-9,9-dimethylxanthene; (9,9-Dimethyl-4a,9a-Dihydro-9H-Xanthene-4,5-Diyl)Bis(Dicyclohexylphosphane)
Molecular Weight	602.81
Molecular Formula	C39H56OP2
Boiling Point	706.8±60.0 °C(Predicted)
Melting Point	169-174 °C
Purity	98%
Appearance	Solid

Q&A

What is the molecular weight of the compound 4,5-Bis(dicyclohexylphosphino)-9,10a-dihydro-9,9-dimethyl-8aH-xanthene?

The molecular weight is 604.8g/mol.

What is the exact mass of 4,5-Bis(dicyclohexylphosphino)-9,10a-dihydro-9,9-dimethyl-8aH-xanthene?

The exact mass is 604.39629046.

How many hydrogen bond acceptor counts does 4,5-Bis(dicyclohexylphosphino)-9,10a-dihydro-9,9-dimethyl-8aH-xanthene have?

It has 1 hydrogen bond acceptor count.

What is the canonical SMILES representation of the compound?

CC1(C2C=CC=C(C2OC3=C1C=CC=C3P(C4CCCCC4)C5CCCCC5)P(C6CCCCC6)C7CCCCC7)C

How many heavy atoms are there in the compound?

There are 42 heavy atoms.

What is the IUPAC name of the compound?

Dicyclohexyl-(5-dicyclohexylphosphanyl-9,9-dimethyl-4a,9a-dihydroxanthen-4-yl)phosphane

What is the topological polar surface area of the compound?

The topological polar surface area is 9.2.

What is the Computed Properties XLogP3 value?

The XLogP3 value is 10.2.

How many rotatable bonds are there in the compound?

There are 6 rotatable bonds.

What is the InChIKey of 4,5-Bis(dicyclohexylphosphino)-9,10a-dihydro-9,9-dimethyl-8aH-xanthene?

The InChIKey is OFIYIILYWDAQSK-UHFFFAOYSA-N.