dichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium

C14H22Cl2NORu+ — CID 167346276

IUPACdichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium
SMILESCC(C)Oc1ccc(C[N+](C)(C)C)cc1C=[Ru](Cl)Cl
InChIInChI=1S/C14H22NO.2ClH.Ru/c1-11(2)16-14-8-7-13(9-12(14)3)10-15(4,5)6;;;/h3,7-9,11H,10H2,1-2,4-6H3;2*1H;/q+1;;;+2/p-2
InChIKeyWEYYIKMQEGQAKZ-UHFFFAOYSA-L
MW392.31 g/mol
LogP3.76
Rot. Bonds5

About dichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium

dichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium (PubChem CID 167346276) has the molecular formula C14H22Cl2NORu+ and a molecular weight of 392.31 g/mol. Its IUPAC name is dichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium.

Molecular Properties

Compound Namedichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium
PubChem CID167346276
Molecular FormulaC14H22Cl2NORu+
Molecular Weight392.31 g/mol
Exact Mass392.01
IUPAC Namedichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium
SMILESCC(C)Oc1ccc(C[N+](C)(C)C)cc1C=[Ru](Cl)Cl
InChIInChI=1S/C14H22NO.2ClH.Ru/c1-11(2)16-14-8-7-13(9-12(14)3)10-15(4,5)6;;;/h3,7-9,11H,10H2,1-2,4-6H3;2*1H;/q+1;;;+2/p-2
InChIKeyWEYYIKMQEGQAKZ-UHFFFAOYSA-L
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.31
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze dichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dichloro-[(5-methoxy-2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 153434955
dichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 140664604
CID 58112670
CID 58112670
(3-ethenyl-4-propan-2-yloxyphenyl)methyl-dimethyl-[2-(trimethylazaniumyl)ethyl]azanium
CID 102326558
carbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 20816790
dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium
CID 59273370
dichloro-[[5-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 135024694
dichloro-[[5-(2-methylpropoxycarbonylamino)-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 140726756
dichloro-[[5-[(2-ethoxy-2-oxoacetyl)amino]-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 59273360
dichloro-[[5-[ethoxy(phenyl)phosphoryl]-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 59154106
dichloro-[[2,5-di(propan-2-yloxy)phenyl]methylidene]ruthenium;tricyclohexylphosphanium
CID 59117453
dichloro-[[2-propan-2-yloxy-5-[(3,3,3-trifluoro-2-oxopropanoyl)amino]phenyl]methylidene]ruthenium
CID 59273372

Frequently Asked Questions

What is the IUPAC name of dichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium?
The IUPAC name of dichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium (CID 167346276) is dichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium.
What is the SMILES notation for dichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium?
The canonical SMILES for dichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium is CC(C)Oc1ccc(C[N+](C)(C)C)cc1C=[Ru](Cl)Cl.
What is the InChIKey of dichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium?
The InChIKey is WEYYIKMQEGQAKZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H22NO.2ClH.Ru/c1-11(2)16-14-8-7-13(9-12(14)3)10-15(4,5)6;;;/h3,7-9,11H,10H2,1-2,4-6H3;2*1H;/q+1;;;+2/p-2.
What are the key properties of dichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium?
dichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium has a molecular weight of 392.31 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium is sourced from PubChem (CID 167346276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).