2-acetyloxyethylidene(dichloro)ruthenium;hexakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[[(6R)-6-methylcyclohexa-1,3-dien-1-yl]methylidene]ruthenium

C143H186Cl6N12O2Ru3-6 — CID 159602824

About 2-acetyloxyethylidene(dichloro)ruthenium;hexakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[[(6R)-6-methylcyclohexa-1,3-dien-1-yl]methylidene]ruthenium

2-acetyloxyethylidene(dichloro)ruthenium;hexakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[[(6R)-6-methylcyclohexa-1,3-dien-1-yl]methylidene]ruthenium (PubChem CID 159602824) has the molecular formula C143H186Cl6N12O2Ru3-6 and a molecular weight of 2621.07 g/mol. Its IUPAC name is 2-acetyloxyethylidene(dichloro)ruthenium;hexakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[[(6R)-6-methylcyclohexa-1,3-dien-1-yl]methylidene]ruthenium.

Molecular Properties

• Compound Name: 2-acetyloxyethylidene(dichloro)ruthenium;hexakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[[(6R)-6-methylcyclohexa-1,3-dien-1-yl]methylidene]ruthenium
• PubChem CID: 159602824
• Molecular Formula: C143H186Cl6N12O2Ru3-6
• Molecular Weight: 2621.07 g/mol
• Exact Mass: 2619.01
• IUPAC Name: 2-acetyloxyethylidene(dichloro)ruthenium;hexakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[[(6R)-6-methylcyclohexa-1,3-dien-1-yl]methylidene]ruthenium
• SMILES: CC(=O)OCC=[Ru](Cl)Cl.CC(C)=CC=[Ru](Cl)Cl.C[C@@H]1CC=CC=C1C=[Ru](Cl)Cl.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1
• InChI: InChI=1S/6C21H27N2.C8H10.C5H8.C4H6O2.6ClH.3Ru/c6*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-7-5-3-4-6-8(7)2;1-4-5(2)3;1-3-6-4(2)5;;;;;;;;;/h6*9-13H,7-8H2,1-6H3;1,3-5,8H,6H2,2H3;1,4H,2-3H3;1H,3H2,2H3;6*1H;;;/q6*-1;;;;;;;;;;3*+2/p-6/t;;;;;;8-;;;;;;;;;;;/m......1.........../s1
• InChIKey: TWNVMHQSWXHWQY-VCSGIGFKSA-H
• XLogP: 37.09
• TPSA: 65.18 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2621.07
LogP ≤ 5	37.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethylidene(dichloro)ruthenium;hexakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[[(6R)-6-methylcyclohexa-1,3-dien-1-yl]methylidene]ruthenium?

The IUPAC name of 2-acetyloxyethylidene(dichloro)ruthenium;hexakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[[(6R)-6-methylcyclohexa-1,3-dien-1-yl]methylidene]ruthenium (CID 159602824) is 2-acetyloxyethylidene(dichloro)ruthenium;hexakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[[(6R)-6-methylcyclohexa-1,3-dien-1-yl]methylidene]ruthenium.

What is the SMILES notation for 2-acetyloxyethylidene(dichloro)ruthenium;hexakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[[(6R)-6-methylcyclohexa-1,3-dien-1-yl]methylidene]ruthenium?

The canonical SMILES for 2-acetyloxyethylidene(dichloro)ruthenium;hexakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[[(6R)-6-methylcyclohexa-1,3-dien-1-yl]methylidene]ruthenium is CC(=O)OCC=[Ru](Cl)Cl.CC(C)=CC=[Ru](Cl)Cl.C[C@@H]1CC=CC=C1C=[Ru](Cl)Cl.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.

What is the InChIKey of 2-acetyloxyethylidene(dichloro)ruthenium;hexakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[[(6R)-6-methylcyclohexa-1,3-dien-1-yl]methylidene]ruthenium?

The InChIKey is TWNVMHQSWXHWQY-VCSGIGFKSA-H. The full InChI is InChI=1S/6C21H27N2.C8H10.C5H8.C4H6O2.6ClH.3Ru/c6*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-7-5-3-4-6-8(7)2;1-4-5(2)3;1-3-6-4(2)5;;;;;;;;;/h6*9-13H,7-8H2,1-6H3;1,3-5,8H,6H2,2H3;1,4H,2-3H3;1H,3H2,2H3;6*1H;;;/q6*-1;;;;;;;;;;3*+2/p-6/t;;;;;;8-;;;;;;;;;;;/m......1.........../s1.

What are the key properties of 2-acetyloxyethylidene(dichloro)ruthenium;hexakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[[(6R)-6-methylcyclohexa-1,3-dien-1-yl]methylidene]ruthenium?

2-acetyloxyethylidene(dichloro)ruthenium;hexakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[[(6R)-6-methylcyclohexa-1,3-dien-1-yl]methylidene]ruthenium has a molecular weight of 2621.07 g/mol, XLogP of 37.09, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetyloxyethylidene(dichloro)ruthenium;hexakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[[(6R)-6-methylcyclohexa-1,3-dien-1-yl]methylidene]ruthenium is sourced from PubChem (CID 159602824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).