1,5-cyclooctadiene ruthenium dichloride (II)

CAS

50982-13-3

Catalog Number

ACM50982133

Category

Ruthenium series catalysts

Molecular Weight

280.154g/mol

Molecular Formula

C8H12Cl2Ru;

MSDS COA Spec Sheet

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Specification

Synonyms

SCHEMBL40687; Dichloro(1,5-cyclooctadiene)ruthenium(II),polymer; CS-0015978; Dichloro(cycloocta-1,5-diene)ruthenium(II),polymer; (1,5-Cyclooctadiene)ruthenium(II) chloride; Ruthenium(II) chloride 1,5-cyclooctadiene complex; Dichloro(1,5-cyclooctadien)ruthenium(II); 982D133; W6610; dichloro(cycloocta-1,5-diene)ruthenium(ii), AldrichCPR;

IUPAC Name

(1Z,5Z)-cycloocta-1,5-diene;dichlororuthenium;

Canonical SMILES

C1CC=CCCC=C1.Cl[Ru]Cl;

InChI

InChI=1S/C8H12.2ClH.Ru/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H;/q;;;+2/p-2/b2-1-,8-7-;;;;

InChI Key

DMRVBCXRFYZCPR-PHFPKPIQSA-L;

Complexity

75.4

Covalently-Bonded Unit Count

Defined Bond Stereocenter Count

EC Number

442-400-1

Exact Mass

279.936g/mol

Heavy Atom Count

Monoisotopic Mass

279.936g/mol

Topological Polar Surface Area

0A^2

January 20, 2023

Work good in precursor development
In cancer cells, 1,5-cyclooctadiene ruthenium dichloride (II), as a metal precursor activated by pH, can kill cancer cells and alleviate the side effects of chemotherapy.

What is the molecular formula of 1,5-cyclooctadiene ruthenium dichloride (II)?

The molecular formula is C8H12Cl2Ru.

What are the synonyms of 1,5-cyclooctadiene ruthenium dichloride (II)?

The synonyms are Dichloro(1,5-CYCLOOCTADIENE)RUTHENIUM (II), AMY11690, AKOS016009851, and AC-2882.

What is the molecular weight of 1,5-cyclooctadiene ruthenium dichloride (II)?

The molecular weight is 280.2 g/mol.

What is the IUPAC name of 1,5-cyclooctadiene ruthenium dichloride (II)?

The IUPAC name is (1Z,5Z)-cycloocta-1,5-diene;ruthenium(2+);dichloride.

What is the InChI of 1,5-cyclooctadiene ruthenium dichloride (II)?

The InChI is InChI=1S/C8H12.2ClH.Ru/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H;/q;;;+2/p-2/b2-1-,8-7-;;;

What is the InChIKey of 1,5-cyclooctadiene ruthenium dichloride (II)?

The InChIKey is DMRVBCXRFYZCPR-PHFPKPIQSA-L.

What is the canonical SMILES of 1,5-cyclooctadiene ruthenium dichloride (II)?

The canonical SMILES is C1CC=CCCC=C1.[Cl-].[Cl-].[Ru+2].

What is the isomeric SMILES of 1,5-cyclooctadiene ruthenium dichloride (II)?

The isomeric SMILES is C1/C=C\CC/C=C\C1.[Cl-].[Cl-].[Ru+2].

What is the CAS number of 1,5-cyclooctadiene ruthenium dichloride (II)?

The CAS number is 50982-12-2.

What is the molecular weight, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, covalently-bonded unit count, and if the compound is canonicalized?

The molecular weight is 280.2 g/mol.
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 2.
The rotatable bond count is 0.
The exact mass is 279.935946 g/mol.
The monoisotopic mass is 279.935946 g/mol.
The topological polar surface area is 0-2.
The heavy atom count is 11.
The formal charge is 0.
The complexity is 72.6.
The isotope atom count is 0.
The defined atom stereocenter count is 0.
The undefined atom stereocenter count is 0.
The defined bond stereocenter count is 2.
The undefined bond stereocenter count is 0.
The covalently-bonded unit count is 4.
The compound is canonicalized.