benzylidene(dichloro)ruthenium;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;methane

C17H30Cl4Ru2-4 — CID 161459967

IUPACbenzylidene(dichloro)ruthenium;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;methane
SMILESC.CC(C)=CC=[Ru](Cl)Cl.Cl[Ru](Cl)=Cc1ccccc1.[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C7H6.C5H8.CH4.4CH3.4ClH.2Ru/c1-7-5-3-2-4-6-7;1-4-5(2)3;;;;;;;;;;;/h1-6H;1,4H,2-3H3;1H4;4*1H3;4*1H;;/q;;;4*-1;;;;;2*+2/p-4
InChIKeyHYOIBZTXWOBWFP-UHFFFAOYSA-J
MW578.38 g/mol
LogP7.88
Rot. Bonds2

About benzylidene(dichloro)ruthenium;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;methane

benzylidene(dichloro)ruthenium;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;methane (PubChem CID 161459967) has the molecular formula C17H30Cl4Ru2-4 and a molecular weight of 578.38 g/mol. Its IUPAC name is benzylidene(dichloro)ruthenium;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;methane.

Molecular Properties

Compound Namebenzylidene(dichloro)ruthenium;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;methane
PubChem CID161459967
Molecular FormulaC17H30Cl4Ru2-4
Molecular Weight578.38 g/mol
Exact Mass577.92
IUPAC Namebenzylidene(dichloro)ruthenium;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;methane
SMILESC.CC(C)=CC=[Ru](Cl)Cl.Cl[Ru](Cl)=Cc1ccccc1.[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C7H6.C5H8.CH4.4CH3.4ClH.2Ru/c1-7-5-3-2-4-6-7;1-4-5(2)3;;;;;;;;;;;/h1-6H;1,4H,2-3H3;1H4;4*1H3;4*1H;;/q;;;4*-1;;;;;2*+2/p-4
InChIKeyHYOIBZTXWOBWFP-UHFFFAOYSA-J
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.38
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

benzylidene(dichloro)ruthenium;carbanide;dichloro(3,3-diphenylprop-2-enylidene)ruthenium
CID 159135839
benzylidene(dichloro)ruthenium;carbanide;tris(dichloro(3-methylbut-2-enylidene)ruthenium);dichloro(phenylsulfanylmethylidene)ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(tricyclohexylphosphanium)
CID 162258654
benzylidene(dichloro)ruthenium;carbanide;bis(4-phenylpyridine)
CID 20740760
dichloro-[(Z)-3-phenylbut-2-enylidene]ruthenium;bis(triphenylphosphanium)
CID 21023059
4-methylpenta-1,3-dienylbenzene
CID 3614395
benzylidene(dichloro)ruthenium;1,3-bis(3,5-ditert-butylphenyl)imidazolidin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium;bis(tricyclohexylphosphanium)
CID 162260168
benzylidene(dichloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide
CID 59365574
pentakis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;bis(dichloro(3-methylbut-2-enylidene)ruthenium);dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium;octakis(tricyclohexylphosphanium)
CID 161242154
benzylidene(dichloro)ruthenium;carbanide;(5Z)-cycloocta-1,5-diene;(5Z)-cycloocta-1,3,5-triene;dichloromethylbenzene;ruthenium(3+)
CID 162183483
pentakis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;dichloro-[[2-[methanidyl(propan-2-yl)oxonio]phenyl]methylidene]ruthenium;bis(dichloro(3-methylbut-2-enylidene)ruthenium);octakis(tricyclohexylphosphanium)
CID 158920020
benzylidene(dichloro)ruthenium;carbanide;4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide
CID 21029729
dichloro(3-methylbut-2-enylidene)ruthenium;tricyclopentylphosphane
CID 87798343

Frequently Asked Questions

What is the IUPAC name of benzylidene(dichloro)ruthenium;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;methane?
The IUPAC name of benzylidene(dichloro)ruthenium;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;methane (CID 161459967) is benzylidene(dichloro)ruthenium;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;methane.
What is the SMILES notation for benzylidene(dichloro)ruthenium;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;methane?
The canonical SMILES for benzylidene(dichloro)ruthenium;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;methane is C.CC(C)=CC=[Ru](Cl)Cl.Cl[Ru](Cl)=Cc1ccccc1.[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of benzylidene(dichloro)ruthenium;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;methane?
The InChIKey is HYOIBZTXWOBWFP-UHFFFAOYSA-J. The full InChI is InChI=1S/C7H6.C5H8.CH4.4CH3.4ClH.2Ru/c1-7-5-3-2-4-6-7;1-4-5(2)3;;;;;;;;;;;/h1-6H;1,4H,2-3H3;1H4;4*1H3;4*1H;;/q;;;4*-1;;;;;2*+2/p-4.
What are the key properties of benzylidene(dichloro)ruthenium;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;methane?
benzylidene(dichloro)ruthenium;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;methane has a molecular weight of 578.38 g/mol, XLogP of 7.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene(dichloro)ruthenium;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;methane is sourced from PubChem (CID 161459967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).