Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate

Catalog Number	ACM99326348-2
CAS	99326-34-8
Structure
Synonyms	(1Z,5Z)-cycloocta-1,5-diene;rhodium;trifluoromethanesulfonate
IUPAC Name	(1Z,5Z)-cycloocta-1,5-diene;rhodium;trifluoromethanesulfonate;
Molecular Weight	468.34
Molecular Formula	C17H24F3O3RhS
Canonical SMILES	C1CC=CCCC=C1.C1CC=CCCC=C1.C(F)(F)(F)S(=O)(=O)[O-].[Rh]
InChI	InChI=1S/2C8H12.CHF3O3S.Rh/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)8(5,6)7;/h2*1-2,7-8H,3-6H2;(H,5,6,7);/p-1/b2*2-1-,8-7-;
InChI Key	VUTUHLLWFPRWMT-QMDOQEJBSA-M
Melting Point	159 °C
Purity	99%
Appearance	Red brown powder
Application	Asymmetric Reactions; C-H Activation; Hydroformylation; Hydrogenation→Asymmetric Hydrogenation;
Storage	Refrigerator (+4°C)
Complexity	217
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	468.04532
Formal Charge	-1
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isomeric SMILES	C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.C(S(=O)(=O)[O-])(F)(F)F.[Rh]
Monoisotopic Mass	468.04532
Rotatable Bond Count	0
Topological Polar Surface Area	65.6 Ų

Q&A

What is the molecular formula of Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate?

The molecular formula is C17H24F3O3RhS.

What is the molecular weight of Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate?

The molecular weight is 468.3 g/mol.

What are the synonyms of Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate?

The synonyms include [rh(cod)2]otf and Bis(1,5-cyclooctadiene)rhodium(I)trifluoromethanesulfonate.

What is the IUPAC name of Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate?

The IUPAC name is (1Z,5Z)-cycloocta-1,5-diene;rhodium;trifluoromethanesulfonate.

What is the InChI key of Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate?

The InChI key is VUTUHLLWFPRWMT-QMDOQEJBSA-M.

What is the CAS number of Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate?

The CAS number is 99326-34-8.

What is the hydrogen bond donor count of Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate?

The hydrogen bond donor count is 0.

What is the hydrogen bond acceptor count of Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate?

The hydrogen bond acceptor count is 6.

What is the rotatable bond count of Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate?

The rotatable bond count is 0.

Is Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate a canonicalized compound?

Yes, Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate is a canonicalized compound.