(S)-5,5'-Bis(dicyclohexylphosphino)-4,4'-bibenzo[d][1,3]dioxole

Catalog Number	ACM958300306
CAS	958300-30-6
Synonyms	Phosphine, 1,1'-[(4S)-[4,4'-bi-1,3-benzodioxole]-5,5'-diyl]bis[1,1-dicyclohexyl-
IUPAC Name	dicyclohexyl-[4-(5-dicyclohexylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane
Molecular Weight	634.76
Molecular Formula	C38H52O4P2
InChI	FVDQWAKAOJAYBD-UHFFFAOYSA-N
InChI Key	InChI=1S/C38H52O4P2/c1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)33-23-21-31-37(41-25-39-31)35(33)36-34(24-22-32-38(36)42-26-40-32)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h21-24,27-30H,1-20,25-26H2
Purity	97%
Isomeric SMILES	C1CCC(CC1)P(C2CCCCC2)C3=C(C4=C(C=C3)OCO4)C5=C(C=CC6=C5OCO6)P(C7CCCCC7)C8CCCCC8

Q&A

What is the IUPAC name of (S)-5,5'-Bis(dicyclohexylphosphino)-4,4'-bibenzo[d][1,3]dioxole?

IUPAC Name: dicyclohexyl-[4-(5-dicyclohexylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane

What is the CAS number of (S)-5,5'-Bis(dicyclohexylphosphino)-4,4'-bibenzo[d][1,3]dioxole?

CAS Number: 210169-52-1

What is the molecular formula of (S)-5,5'-Bis(dicyclohexylphosphino)-4,4'-bibenzo[d][1,3]dioxole?

Molecular Formula: C38H52O4P2

What is the molecular weight of (S)-5,5'-Bis(dicyclohexylphosphino)-4,4'-bibenzo[d][1,3]dioxole?

Molecular Weight: 634.8g/mol

How many hydrogen bond acceptors does (S)-5,5'-Bis(dicyclohexylphosphino)-4,4'-bibenzo[d][1,3]dioxole have?

Hydrogen Bond Acceptor Count: 4

What is the XLogP3 value of (S)-5,5'-Bis(dicyclohexylphosphino)-4,4'-bibenzo[d][1,3]dioxole?

XLogP3: 9.6

What is the Canonical SMILES of (S)-5,5'-Bis(dicyclohexylphosphino)-4,4'-bibenzo[d][1,3]dioxole?

Canonical SMILES: C1CCC(CC1)P(C2CCCCC2)C3=C(C4=C(C=C3)OCO4)C5=C(C=CC6=C5OCO6)P(C7CCCCC7)C8CCCCC8

What is the computed topological polar surface area of (S)-5,5'-Bis(dicyclohexylphosphino)-4,4'-bibenzo[d][1,3]dioxole?

Topological Polar Surface Area: 36.9

How many rotatable bonds does (S)-5,5'-Bis(dicyclohexylphosphino)-4,4'-bibenzo[d][1,3]dioxole have?

Rotatable Bond Count: 7

What is the InChIKey of (S)-5,5'-Bis(dicyclohexylphosphino)-4,4'-bibenzo[d][1,3]dioxole?

InChIKey: FVDQWAKAOJAYBD-UHFFFAOYSA-N