butane;phosphane;ruthenium(4+);chloride

C12H30ClPRu — CID 88846853

IUPACbutane;phosphane;ruthenium(4+);chloride
SMILESP.[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[Cl-].[Ru+4]
InChIInChI=1S/3C4H9.ClH.H3P.Ru/c3*1-3-4-2;;;/h3*1,3-4H2,2H3;1H;1H3;/q3*-1;;;+4/p-1
InChIKeyUVIMGTFFBFFVAF-UHFFFAOYSA-M
MW341.87 g/mol
LogP1.92
Rot. Bonds3

About butane;phosphane;ruthenium(4+);chloride

butane;phosphane;ruthenium(4+);chloride (PubChem CID 88846853) has the molecular formula C12H30ClPRu and a molecular weight of 341.87 g/mol. Its IUPAC name is butane;phosphane;ruthenium(4+);chloride.

Molecular Properties

Compound Namebutane;phosphane;ruthenium(4+);chloride
PubChem CID88846853
Molecular FormulaC12H30ClPRu
Molecular Weight341.87 g/mol
Exact Mass342.08
IUPAC Namebutane;phosphane;ruthenium(4+);chloride
SMILESP.[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[Cl-].[Ru+4]
InChIInChI=1S/3C4H9.ClH.H3P.Ru/c3*1-3-4-2;;;/h3*1,3-4H2,2H3;1H;1H3;/q3*-1;;;+4/p-1
InChIKeyUVIMGTFFBFFVAF-UHFFFAOYSA-M
XLogP1.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.87
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze butane;phosphane;ruthenium(4+);chloride 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

butane;carbanide;tungsten(2+);yttrium
CID 167712375
butane;cadmium(2+);chloride
CID 22477088
magnesium;butane;chloride
CID 6101660
butane;zirconium(4+);dichloride
CID 87374724
butane;propane;yttrium
CID 59895294
butane;nickel
CID 57419181
butane;platinum(2+)
CID 85439871
butane;terbium(3+)
CID 21057379
butane;tris(rubidium(1+))
CID 59203345
butane;lithium(1-)
CID 154172744
butane;ethene;methane;tris(yttrium)
CID 158409279
zinc;butane;oxygen(2-)
CID 158389994

Frequently Asked Questions

What is the IUPAC name of butane;phosphane;ruthenium(4+);chloride?
The IUPAC name of butane;phosphane;ruthenium(4+);chloride (CID 88846853) is butane;phosphane;ruthenium(4+);chloride.
What is the SMILES notation for butane;phosphane;ruthenium(4+);chloride?
The canonical SMILES for butane;phosphane;ruthenium(4+);chloride is P.[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[Cl-].[Ru+4].
What is the InChIKey of butane;phosphane;ruthenium(4+);chloride?
The InChIKey is UVIMGTFFBFFVAF-UHFFFAOYSA-M. The full InChI is InChI=1S/3C4H9.ClH.H3P.Ru/c3*1-3-4-2;;;/h3*1,3-4H2,2H3;1H;1H3;/q3*-1;;;+4/p-1.
What are the key properties of butane;phosphane;ruthenium(4+);chloride?
butane;phosphane;ruthenium(4+);chloride has a molecular weight of 341.87 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;phosphane;ruthenium(4+);chloride is sourced from PubChem (CID 88846853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).