benzylidene(dichloro)ruthenium;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-bromo-2-methylpropanoate;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-methyl-2-thiophosphorosopropanoate;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);3,6-dimethyl-1,4-dioxane-2,5-dione;[(2R,3S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;[(2R,3S)-3-(2-hydroxypropanoyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;styrene

C117H153Br5Cl2N4O22PRuS- — CID 158651141

About benzylidene(dichloro)ruthenium;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-bromo-2-methylpropanoate;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-methyl-2-thiophosphorosopropanoate;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);3,6-dimethyl-1,4-dioxane-2,5-dione;[(2R,3S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;[(2R,3S)-3-(2-hydroxypropanoyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;styrene

benzylidene(dichloro)ruthenium;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-bromo-2-methylpropanoate;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-methyl-2-thiophosphorosopropanoate;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);3,6-dimethyl-1,4-dioxane-2,5-dione;[(2R,3S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;[(2R,3S)-3-(2-hydroxypropanoyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;styrene (PubChem CID 158651141) has the molecular formula C117H153Br5Cl2N4O22PRuS- and a molecular weight of 2602.05 g/mol. Its IUPAC name is benzylidene(dichloro)ruthenium;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-bromo-2-methylpropanoate;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-methyl-2-thiophosphorosopropanoate;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);3,6-dimethyl-1,4-dioxane-2,5-dione;[(2R,3S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;[(2R,3S)-3-(2-hydroxypropanoyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;styrene.

Molecular Properties

• Compound Name: benzylidene(dichloro)ruthenium;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-bromo-2-methylpropanoate;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-methyl-2-thiophosphorosopropanoate;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);3,6-dimethyl-1,4-dioxane-2,5-dione;[(2R,3S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;[(2R,3S)-3-(2-hydroxypropanoyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;styrene
• PubChem CID: 158651141
• Molecular Formula: C117H153Br5Cl2N4O22PRuS-
• Molecular Weight: 2602.05 g/mol
• Exact Mass: 2595.48
• IUPAC Name: benzylidene(dichloro)ruthenium;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-bromo-2-methylpropanoate;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-methyl-2-thiophosphorosopropanoate;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);3,6-dimethyl-1,4-dioxane-2,5-dione;[(2R,3S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;[(2R,3S)-3-(2-hydroxypropanoyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;styrene
• SMILES: Brc1cccnc1.Brc1cccnc1.C=CC1CC(C=C)[C@H](COC(=O)C(C)O)[C@@H]1COC(=O)C(C)(C)Br.C=CC1CC(C=C)[C@H](COC(=O)C(C)O)[C@@H]1COC(=O)C(C)(C)P=S.C=Cc1ccccc1.CC(C)(Br)C(=O)OC[C@@H]1C2C=CC(C2)[C@@H]1CO.CC(O)C(=O)OC[C@H]1C2C=CC(C2)[C@H]1COC(=O)C(C)(C)Br.CC1OC(=O)C(C)OC1=O.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl[Ru](Cl)=Cc1ccccc1
• InChI: InChI=1S/C21H27N2.C18H27BrO5.C18H27O5PS.C16H23BrO5.C13H19BrO3.C8H8.C7H6.C6H8O4.2C5H4BrN.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-6-12-8-13(7-2)15(10-24-17(22)18(4,5)19)14(12)9-23-16(21)11(3)20;1-6-12-8-13(7-2)15(10-23-17(21)18(4,5)24-25)14(12)9-22-16(20)11(3)19;1-9(18)14(19)21-7-12-10-4-5-11(6-10)13(12)8-22-15(20)16(2,3)17;1-13(2,14)12(16)17-7-11-9-4-3-8(5-9)10(11)6-15;1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7;1-3-5(7)10-4(2)6(8)9-3;2*6-5-2-1-3-7-4-5;;;/h9-13H,7-8H2,1-6H3;6-7,11-15,20H,1-2,8-10H2,3-5H3;6-7,11-15,19H,1-2,8-10H2,3-5H3;4-5,9-13,18H,6-8H2,1-3H3;3-4,8-11,15H,5-7H2,1-2H3;2-7H,1H2;1-6H;3-4H,1-2H3;2*1-4H;2*1H;/q-1;;;;;;;;;;;;+2/p-2/t;2*11?,12?,13?,14-,15+;9?,10?,11?,12-,13+;8?,9?,10-,11+;;;;;;;;/m.0000......../s1
• InChIKey: ADIGFCDAZDZNIU-KGXSTUNYSA-L
• XLogP: 23.57
• TPSA: 349.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 31
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2602.05
LogP ≤ 5	23.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzylidene(dichloro)ruthenium;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-bromo-2-methylpropanoate;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-methyl-2-thiophosphorosopropanoate;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);3,6-dimethyl-1,4-dioxane-2,5-dione;[(2R,3S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;[(2R,3S)-3-(2-hydroxypropanoyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;styrene?

The IUPAC name of benzylidene(dichloro)ruthenium;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-bromo-2-methylpropanoate;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-methyl-2-thiophosphorosopropanoate;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);3,6-dimethyl-1,4-dioxane-2,5-dione;[(2R,3S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;[(2R,3S)-3-(2-hydroxypropanoyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;styrene (CID 158651141) is benzylidene(dichloro)ruthenium;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-bromo-2-methylpropanoate;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-methyl-2-thiophosphorosopropanoate;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);3,6-dimethyl-1,4-dioxane-2,5-dione;[(2R,3S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;[(2R,3S)-3-(2-hydroxypropanoyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;styrene.

What is the SMILES notation for benzylidene(dichloro)ruthenium;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-bromo-2-methylpropanoate;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-methyl-2-thiophosphorosopropanoate;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);3,6-dimethyl-1,4-dioxane-2,5-dione;[(2R,3S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;[(2R,3S)-3-(2-hydroxypropanoyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;styrene?

The canonical SMILES for benzylidene(dichloro)ruthenium;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-bromo-2-methylpropanoate;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-methyl-2-thiophosphorosopropanoate;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);3,6-dimethyl-1,4-dioxane-2,5-dione;[(2R,3S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;[(2R,3S)-3-(2-hydroxypropanoyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;styrene is Brc1cccnc1.Brc1cccnc1.C=CC1CC(C=C)[C@H](COC(=O)C(C)O)[C@@H]1COC(=O)C(C)(C)Br.C=CC1CC(C=C)[C@H](COC(=O)C(C)O)[C@@H]1COC(=O)C(C)(C)P=S.C=Cc1ccccc1.CC(C)(Br)C(=O)OC[C@@H]1C2C=CC(C2)[C@@H]1CO.CC(O)C(=O)OC[C@H]1C2C=CC(C2)[C@H]1COC(=O)C(C)(C)Br.CC1OC(=O)C(C)OC1=O.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl[Ru](Cl)=Cc1ccccc1.

What is the InChIKey of benzylidene(dichloro)ruthenium;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-bromo-2-methylpropanoate;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-methyl-2-thiophosphorosopropanoate;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);3,6-dimethyl-1,4-dioxane-2,5-dione;[(2R,3S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;[(2R,3S)-3-(2-hydroxypropanoyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;styrene?

The InChIKey is ADIGFCDAZDZNIU-KGXSTUNYSA-L. The full InChI is InChI=1S/C21H27N2.C18H27BrO5.C18H27O5PS.C16H23BrO5.C13H19BrO3.C8H8.C7H6.C6H8O4.2C5H4BrN.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-6-12-8-13(7-2)15(10-24-17(22)18(4,5)19)14(12)9-23-16(21)11(3)20;1-6-12-8-13(7-2)15(10-23-17(21)18(4,5)24-25)14(12)9-22-16(20)11(3)19;1-9(18)14(19)21-7-12-10-4-5-11(6-10)13(12)8-22-15(20)16(2,3)17;1-13(2,14)12(16)17-7-11-9-4-3-8(5-9)10(11)6-15;1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7;1-3-5(7)10-4(2)6(8)9-3;2*6-5-2-1-3-7-4-5;;;/h9-13H,7-8H2,1-6H3;6-7,11-15,20H,1-2,8-10H2,3-5H3;6-7,11-15,19H,1-2,8-10H2,3-5H3;4-5,9-13,18H,6-8H2,1-3H3;3-4,8-11,15H,5-7H2,1-2H3;2-7H,1H2;1-6H;3-4H,1-2H3;2*1-4H;2*1H;/q-1;;;;;;;;;;;;+2/p-2/t;2*11?,12?,13?,14-,15+;9?,10?,11?,12-,13+;8?,9?,10-,11+;;;;;;;;/m.0000......../s1.

What are the key properties of benzylidene(dichloro)ruthenium;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-bromo-2-methylpropanoate;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-methyl-2-thiophosphorosopropanoate;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);3,6-dimethyl-1,4-dioxane-2,5-dione;[(2R,3S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;[(2R,3S)-3-(2-hydroxypropanoyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;styrene?

benzylidene(dichloro)ruthenium;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-bromo-2-methylpropanoate;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-methyl-2-thiophosphorosopropanoate;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);3,6-dimethyl-1,4-dioxane-2,5-dione;[(2R,3S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;[(2R,3S)-3-(2-hydroxypropanoyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;styrene has a molecular weight of 2602.05 g/mol, XLogP of 23.57, 31 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for benzylidene(dichloro)ruthenium;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-bromo-2-methylpropanoate;[(1R,2S)-3,5-bis(ethenyl)-2-(2-hydroxypropanoyloxymethyl)cyclopentyl]methyl 2-methyl-2-thiophosphorosopropanoate;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);3,6-dimethyl-1,4-dioxane-2,5-dione;[(2R,3S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;[(2R,3S)-3-(2-hydroxypropanoyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-bromo-2-methylpropanoate;styrene is sourced from PubChem (CID 158651141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).