butane;carbanide;dichlororuthenium

C5H11Cl2Ru-3 — CID 21361201

IUPACbutane;carbanide;dichlororuthenium
SMILESCl[Ru]Cl.[CH2-]C[CH-]C.[CH3-]
InChIInChI=1S/C4H8.CH3.2ClH.Ru/c1-3-4-2;;;;/h4H,1,3H2,2H3;1H3;2*1H;/q-2;-1;;;+2/p-2
InChIKeyKKCCTVMLNLJEJP-UHFFFAOYSA-L
MW243.12 g/mol
LogP3.26
Rot. Bonds1

About butane;carbanide;dichlororuthenium

butane;carbanide;dichlororuthenium (PubChem CID 21361201) has the molecular formula C5H11Cl2Ru-3 and a molecular weight of 243.12 g/mol. Its IUPAC name is butane;carbanide;dichlororuthenium.

Molecular Properties

Compound Namebutane;carbanide;dichlororuthenium
PubChem CID21361201
Molecular FormulaC5H11Cl2Ru-3
Molecular Weight243.12 g/mol
Exact Mass242.93
IUPAC Namebutane;carbanide;dichlororuthenium
SMILESCl[Ru]Cl.[CH2-]C[CH-]C.[CH3-]
InChIInChI=1S/C4H8.CH3.2ClH.Ru/c1-3-4-2;;;;/h4H,1,3H2,2H3;1H3;2*1H;/q-2;-1;;;+2/p-2
InChIKeyKKCCTVMLNLJEJP-UHFFFAOYSA-L
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.12
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butane;carbanide;dichlororuthenium?
The IUPAC name of butane;carbanide;dichlororuthenium (CID 21361201) is butane;carbanide;dichlororuthenium.
What is the SMILES notation for butane;carbanide;dichlororuthenium?
The canonical SMILES for butane;carbanide;dichlororuthenium is Cl[Ru]Cl.[CH2-]C[CH-]C.[CH3-].
What is the InChIKey of butane;carbanide;dichlororuthenium?
The InChIKey is KKCCTVMLNLJEJP-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H8.CH3.2ClH.Ru/c1-3-4-2;;;;/h4H,1,3H2,2H3;1H3;2*1H;/q-2;-1;;;+2/p-2.
What are the key properties of butane;carbanide;dichlororuthenium?
butane;carbanide;dichlororuthenium has a molecular weight of 243.12 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;carbanide;dichlororuthenium is sourced from PubChem (CID 21361201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).