cyclohexane;(Z)-1,4-dimethoxy-1,4-dioxobut-2-ene-2,3-dithiolate;ruthenium(2+)

C12H18O4RuS2 — CID 23232184

IUPACcyclohexane;(Z)-1,4-dimethoxy-1,4-dioxobut-2-ene-2,3-dithiolate;ruthenium(2+)
SMILESC1CCCCC1.COC(=O)/C([S-])=C(/[S-])C(=O)OC.[Ru+2]
InChIInChI=1S/C6H8O4S2.C6H12.Ru/c1-9-5(7)3(11)4(12)6(8)10-2;1-2-4-6-5-3-1;/h11-12H,1-2H3;1-6H2;/q;;+2/p-2/b4-3-;;
InChIKeyHYTXNLNWCMMGKG-GSBNXNDCSA-L
MW391.48 g/mol
LogP1.98
Rot. Bonds2

About cyclohexane;(Z)-1,4-dimethoxy-1,4-dioxobut-2-ene-2,3-dithiolate;ruthenium(2+)

cyclohexane;(Z)-1,4-dimethoxy-1,4-dioxobut-2-ene-2,3-dithiolate;ruthenium(2+) (PubChem CID 23232184) has the molecular formula C12H18O4RuS2 and a molecular weight of 391.48 g/mol. Its IUPAC name is cyclohexane;(Z)-1,4-dimethoxy-1,4-dioxobut-2-ene-2,3-dithiolate;ruthenium(2+).

Molecular Properties

Compound Namecyclohexane;(Z)-1,4-dimethoxy-1,4-dioxobut-2-ene-2,3-dithiolate;ruthenium(2+)
PubChem CID23232184
Molecular FormulaC12H18O4RuS2
Molecular Weight391.48 g/mol
Exact Mass391.97
IUPAC Namecyclohexane;(Z)-1,4-dimethoxy-1,4-dioxobut-2-ene-2,3-dithiolate;ruthenium(2+)
SMILESC1CCCCC1.COC(=O)/C([S-])=C(/[S-])C(=O)OC.[Ru+2]
InChIInChI=1S/C6H8O4S2.C6H12.Ru/c1-9-5(7)3(11)4(12)6(8)10-2;1-2-4-6-5-3-1;/h11-12H,1-2H3;1-6H2;/q;;+2/p-2/b4-3-;;
InChIKeyHYTXNLNWCMMGKG-GSBNXNDCSA-L
XLogP1.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze cyclohexane;(Z)-1,4-dimethoxy-1,4-dioxobut-2-ene-2,3-dithiolate;ruthenium(2+) with MolForge

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Related Compounds

CID 11372560
CID 11372560
dimethyl oxalate
CID 11120
tetrakis(cyclohexane);methyl acetate
CID 159246653
dimethyl oxalate;hydrochloride
CID 172754902
cobalt(3+);cyclopentane;(Z)-2-methanidylsulfanyl-3-methoxy-3-oxoprop-1-ene-1-thiolate
CID 23230282
methyl 3-[1-(2-methoxy-2-oxoethyl)cyclohexyl]-2-oxopropanoate
CID 10467590
methyl 3-oxo-2-(piperidin-1-ylmethylidene)butanoate
CID 54144395
dimethyl (E)-2,3-dihydroxybut-2-enedioate
CID 54699194
dimethyl 2,3-dihydroxybut-2-enedioate
CID 54697656
dimethyl 2-[(cyclohexylidenemethylamino)methylidene]propanedioate
CID 11425294
methyl 3-cyclohexyl-4-hydroxy-2-methylbut-2-enoate
CID 174741411
methyl 3-cyclohexyl-3-hydroxy-2-methylprop-2-enoate
CID 174624623

Frequently Asked Questions

What is the IUPAC name of cyclohexane;(Z)-1,4-dimethoxy-1,4-dioxobut-2-ene-2,3-dithiolate;ruthenium(2+)?
The IUPAC name of cyclohexane;(Z)-1,4-dimethoxy-1,4-dioxobut-2-ene-2,3-dithiolate;ruthenium(2+) (CID 23232184) is cyclohexane;(Z)-1,4-dimethoxy-1,4-dioxobut-2-ene-2,3-dithiolate;ruthenium(2+).
What is the SMILES notation for cyclohexane;(Z)-1,4-dimethoxy-1,4-dioxobut-2-ene-2,3-dithiolate;ruthenium(2+)?
The canonical SMILES for cyclohexane;(Z)-1,4-dimethoxy-1,4-dioxobut-2-ene-2,3-dithiolate;ruthenium(2+) is C1CCCCC1.COC(=O)/C([S-])=C(/[S-])C(=O)OC.[Ru+2].
What is the InChIKey of cyclohexane;(Z)-1,4-dimethoxy-1,4-dioxobut-2-ene-2,3-dithiolate;ruthenium(2+)?
The InChIKey is HYTXNLNWCMMGKG-GSBNXNDCSA-L. The full InChI is InChI=1S/C6H8O4S2.C6H12.Ru/c1-9-5(7)3(11)4(12)6(8)10-2;1-2-4-6-5-3-1;/h11-12H,1-2H3;1-6H2;/q;;+2/p-2/b4-3-;;.
What are the key properties of cyclohexane;(Z)-1,4-dimethoxy-1,4-dioxobut-2-ene-2,3-dithiolate;ruthenium(2+)?
cyclohexane;(Z)-1,4-dimethoxy-1,4-dioxobut-2-ene-2,3-dithiolate;ruthenium(2+) has a molecular weight of 391.48 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;(Z)-1,4-dimethoxy-1,4-dioxobut-2-ene-2,3-dithiolate;ruthenium(2+) is sourced from PubChem (CID 23232184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).