3-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-id-4-yl]propyl-dimethoxy-methylsilane;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dioxosilane

C37H53Cl2N2O5RuSi2- — CID 158753160

About 3-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-id-4-yl]propyl-dimethoxy-methylsilane;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dioxosilane

3-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-id-4-yl]propyl-dimethoxy-methylsilane;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dioxosilane (PubChem CID 158753160) has the molecular formula C37H53Cl2N2O5RuSi2- and a molecular weight of 833.99 g/mol. Its IUPAC name is 3-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-id-4-yl]propyl-dimethoxy-methylsilane;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dioxosilane.

Molecular Properties

• Compound Name: 3-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-id-4-yl]propyl-dimethoxy-methylsilane;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dioxosilane
• PubChem CID: 158753160
• Molecular Formula: C37H53Cl2N2O5RuSi2-
• Molecular Weight: 833.99 g/mol
• Exact Mass: 833.19
• IUPAC Name: 3-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-id-4-yl]propyl-dimethoxy-methylsilane;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dioxosilane
• SMILES: CC(C)Oc1ccccc1C=[Ru](Cl)Cl.CO[Si](C)(CCCC1CN(c2c(C)cc(C)cc2C)[CH-]N1c1c(C)cc(C)cc1C)OC.O=[Si]=O
• InChI: InChI=1S/C27H41N2O2Si.C10H12O.2ClH.O2Si.Ru/c1-19-13-21(3)26(22(4)14-19)28-17-25(11-10-12-32(9,30-7)31-8)29(18-28)27-23(5)15-20(2)16-24(27)6;1-8(2)11-10-7-5-4-6-9(10)3;;;1-3-2;/h13-16,18,25H,10-12,17H2,1-9H3;3-8H,1-2H3;2*1H;;/q-1;;;;;+2/p-2
• InChIKey: LFIUGZQIZIRLCV-UHFFFAOYSA-L
• XLogP: 9.43
• TPSA: 68.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.99
LogP ≤ 5	9.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-id-4-yl]propyl-dimethoxy-methylsilane;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dioxosilane?

The IUPAC name of 3-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-id-4-yl]propyl-dimethoxy-methylsilane;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dioxosilane (CID 158753160) is 3-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-id-4-yl]propyl-dimethoxy-methylsilane;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dioxosilane.

What is the SMILES notation for 3-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-id-4-yl]propyl-dimethoxy-methylsilane;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dioxosilane?

The canonical SMILES for 3-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-id-4-yl]propyl-dimethoxy-methylsilane;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dioxosilane is CC(C)Oc1ccccc1C=[Ru](Cl)Cl.CO[Si](C)(CCCC1CN(c2c(C)cc(C)cc2C)[CH-]N1c1c(C)cc(C)cc1C)OC.O=[Si]=O.

What is the InChIKey of 3-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-id-4-yl]propyl-dimethoxy-methylsilane;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dioxosilane?

The InChIKey is LFIUGZQIZIRLCV-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H41N2O2Si.C10H12O.2ClH.O2Si.Ru/c1-19-13-21(3)26(22(4)14-19)28-17-25(11-10-12-32(9,30-7)31-8)29(18-28)27-23(5)15-20(2)16-24(27)6;1-8(2)11-10-7-5-4-6-9(10)3;;;1-3-2;/h13-16,18,25H,10-12,17H2,1-9H3;3-8H,1-2H3;2*1H;;/q-1;;;;;+2/p-2.

What are the key properties of 3-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-id-4-yl]propyl-dimethoxy-methylsilane;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dioxosilane?

3-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-id-4-yl]propyl-dimethoxy-methylsilane;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dioxosilane has a molecular weight of 833.99 g/mol, XLogP of 9.43, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-id-4-yl]propyl-dimethoxy-methylsilane;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dioxosilane is sourced from PubChem (CID 158753160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).