benzylidene(dichloro)ruthenium;3-(3-butyl-2H-imidazol-2-id-1-yl)propyl-trimethoxysilane;tricyclohexylphosphanium

C38H67Cl2N2O3PRuSi — CID 134939039

IUPACbenzylidene(dichloro)ruthenium;3-(3-butyl-2H-imidazol-2-id-1-yl)propyl-trimethoxysilane;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CCCCN1C=CN(CCC[Si](OC)(OC)OC)[CH-]1.Cl[Ru](Cl)=Cc1ccccc1
InChIInChI=1S/C18H33P.C13H27N2O3Si.C7H6.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-6-8-14-10-11-15(13-14)9-7-12-19(16-2,17-3)18-4;1-7-5-3-2-4-6-7;;;/h16-18H,1-15H2;10-11,13H,5-9,12H2,1-4H3;1-6H;2*1H;/q;-1;;;;+2/p-1
InChIKeyHMWAKONORJFHQR-UHFFFAOYSA-M
MW831.00 g/mol
LogP11.22
Rot. Bonds14

About benzylidene(dichloro)ruthenium;3-(3-butyl-2H-imidazol-2-id-1-yl)propyl-trimethoxysilane;tricyclohexylphosphanium

benzylidene(dichloro)ruthenium;3-(3-butyl-2H-imidazol-2-id-1-yl)propyl-trimethoxysilane;tricyclohexylphosphanium (PubChem CID 134939039) has the molecular formula C38H67Cl2N2O3PRuSi and a molecular weight of 831.00 g/mol. Its IUPAC name is benzylidene(dichloro)ruthenium;3-(3-butyl-2H-imidazol-2-id-1-yl)propyl-trimethoxysilane;tricyclohexylphosphanium.

Molecular Properties

Compound Namebenzylidene(dichloro)ruthenium;3-(3-butyl-2H-imidazol-2-id-1-yl)propyl-trimethoxysilane;tricyclohexylphosphanium
PubChem CID134939039
Molecular FormulaC38H67Cl2N2O3PRuSi
Molecular Weight831.00 g/mol
Exact Mass830.31
IUPAC Namebenzylidene(dichloro)ruthenium;3-(3-butyl-2H-imidazol-2-id-1-yl)propyl-trimethoxysilane;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CCCCN1C=CN(CCC[Si](OC)(OC)OC)[CH-]1.Cl[Ru](Cl)=Cc1ccccc1
InChIInChI=1S/C18H33P.C13H27N2O3Si.C7H6.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-6-8-14-10-11-15(13-14)9-7-12-19(16-2,17-3)18-4;1-7-5-3-2-4-6-7;;;/h16-18H,1-15H2;10-11,13H,5-9,12H2,1-4H3;1-6H;2*1H;/q;-1;;;;+2/p-1
InChIKeyHMWAKONORJFHQR-UHFFFAOYSA-M
XLogP11.22
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.00
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzylidene(dichloro)ruthenium;3-(3-butyl-2H-imidazol-2-id-1-yl)propyl-trimethoxysilane;tricyclohexylphosphanium?
The IUPAC name of benzylidene(dichloro)ruthenium;3-(3-butyl-2H-imidazol-2-id-1-yl)propyl-trimethoxysilane;tricyclohexylphosphanium (CID 134939039) is benzylidene(dichloro)ruthenium;3-(3-butyl-2H-imidazol-2-id-1-yl)propyl-trimethoxysilane;tricyclohexylphosphanium.
What is the SMILES notation for benzylidene(dichloro)ruthenium;3-(3-butyl-2H-imidazol-2-id-1-yl)propyl-trimethoxysilane;tricyclohexylphosphanium?
The canonical SMILES for benzylidene(dichloro)ruthenium;3-(3-butyl-2H-imidazol-2-id-1-yl)propyl-trimethoxysilane;tricyclohexylphosphanium is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CCCCN1C=CN(CCC[Si](OC)(OC)OC)[CH-]1.Cl[Ru](Cl)=Cc1ccccc1.
What is the InChIKey of benzylidene(dichloro)ruthenium;3-(3-butyl-2H-imidazol-2-id-1-yl)propyl-trimethoxysilane;tricyclohexylphosphanium?
The InChIKey is HMWAKONORJFHQR-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H33P.C13H27N2O3Si.C7H6.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-6-8-14-10-11-15(13-14)9-7-12-19(16-2,17-3)18-4;1-7-5-3-2-4-6-7;;;/h16-18H,1-15H2;10-11,13H,5-9,12H2,1-4H3;1-6H;2*1H;/q;-1;;;;+2/p-1.
What are the key properties of benzylidene(dichloro)ruthenium;3-(3-butyl-2H-imidazol-2-id-1-yl)propyl-trimethoxysilane;tricyclohexylphosphanium?
benzylidene(dichloro)ruthenium;3-(3-butyl-2H-imidazol-2-id-1-yl)propyl-trimethoxysilane;tricyclohexylphosphanium has a molecular weight of 831.00 g/mol, XLogP of 11.22, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene(dichloro)ruthenium;3-(3-butyl-2H-imidazol-2-id-1-yl)propyl-trimethoxysilane;tricyclohexylphosphanium is sourced from PubChem (CID 134939039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).