chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane

C29H49ClN2O3PRuSi+ — CID 58330314

IUPACchlororuthenium(1+);tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CN1C=CN(Cc2ccc([Si](O)(O)O)cc2)[CH-]1.Cl[Ru+]
InChIInChI=1S/C18H33P.C11H15N2O3Si.ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12-6-7-13(9-12)8-10-2-4-11(5-3-10)17(14,15)16;;/h16-18H,1-15H2;2-7,9,14-16H,8H2,1H3;1H;/q;-1;;+2
InChIKeyPMGQXOHUVZULRX-UHFFFAOYSA-N
MW669.31 g/mol
LogP6.03
Rot. Bonds6

About chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane

chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane (PubChem CID 58330314) has the molecular formula C29H49ClN2O3PRuSi+ and a molecular weight of 669.31 g/mol. Its IUPAC name is chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane.

Molecular Properties

Compound Namechlororuthenium(1+);tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane
PubChem CID58330314
Molecular FormulaC29H49ClN2O3PRuSi+
Molecular Weight669.31 g/mol
Exact Mass669.20
IUPAC Namechlororuthenium(1+);tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CN1C=CN(Cc2ccc([Si](O)(O)O)cc2)[CH-]1.Cl[Ru+]
InChIInChI=1S/C18H33P.C11H15N2O3Si.ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12-6-7-13(9-12)8-10-2-4-11(5-3-10)17(14,15)16;;/h16-18H,1-15H2;2-7,9,14-16H,8H2,1H3;1H;/q;-1;;+2
InChIKeyPMGQXOHUVZULRX-UHFFFAOYSA-N
XLogP6.03
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.31
LogP ≤ 56.03
H-Bond Donors ≤ 53
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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Related Compounds

benzylidene(dichloro)ruthenium;3-(3-butyl-2H-imidazol-2-id-1-yl)propyl-trimethoxysilane;tricyclohexylphosphanium
CID 134939039
CID 177597842
CID 177597842
trihydroxy-[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]silane
CID 58330288
dichloro(methylidene)ruthenium;tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane
CID 58330307
benzylidene(dichloro)ruthenium;1,3-bis(1-phenylethyl)-2H-imidazol-2-ide;tricyclohexylphosphanium
CID 58999262
[1,3-Bis(1-phenylethyl)imidazol-2-ylidene]-tricyclohexyl-lambda5-phosphane;dichlororuthenium
CID 87694093
benzylidene(dichloro)ruthenium;1,3-bis[(1R)-1-phenylethyl]-2H-imidazol-2-ide;tricyclohexylphosphanium
CID 140465222
benzene;chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy(methoxy)silane;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane;hydrochloride
CID 158106028
benzene;dichlororuthenium;tricyclohexylphosphanium;trihydroxy(methoxy)silane;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane
CID 160056404
trihydroxy-[4-[[3-[(4-trihydroxysilylphenyl)methyl]-2H-imidazol-1-yl]methyl]phenyl]silane chloride
CID 160469634
benzylidene(dichloro)ruthenium;1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-imidazol-2-ide;tricyclohexylphosphanium
CID 161393364
[1,3-Bis(1-phenylethyl)imidazol-2-ylidene]-tricyclohexyl-lambda5-phosphane;ruthenium(2+);dichloride
CID 173138229

Frequently Asked Questions

What is the IUPAC name of chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane?
The IUPAC name of chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane (CID 58330314) is chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane.
What is the SMILES notation for chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane?
The canonical SMILES for chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CN1C=CN(Cc2ccc([Si](O)(O)O)cc2)[CH-]1.Cl[Ru+].
What is the InChIKey of chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane?
The InChIKey is PMGQXOHUVZULRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33P.C11H15N2O3Si.ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12-6-7-13(9-12)8-10-2-4-11(5-3-10)17(14,15)16;;/h16-18H,1-15H2;2-7,9,14-16H,8H2,1H3;1H;/q;-1;;+2.
What are the key properties of chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane?
chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane has a molecular weight of 669.31 g/mol, XLogP of 6.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chlororuthenium(1+);tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane is sourced from PubChem (CID 58330314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).