dichlororuthenium;propan-2-one

C3H6Cl2ORu — CID 161370342

IUPACdichlororuthenium;propan-2-one
SMILESCC(C)=O.Cl[Ru]Cl
InChIInChI=1S/C3H6O.2ClH.Ru/c1-3(2)4;;;/h1-2H3;2*1H;/q;;;+2/p-2
InChIKeyVQJMVKRTHAQRSF-UHFFFAOYSA-L
MW230.06 g/mol
LogP1.97
Rot. Bonds

About dichlororuthenium;propan-2-one

dichlororuthenium;propan-2-one (PubChem CID 161370342) has the molecular formula C3H6Cl2ORu and a molecular weight of 230.06 g/mol. Its IUPAC name is dichlororuthenium;propan-2-one.

Molecular Properties

Compound Namedichlororuthenium;propan-2-one
PubChem CID161370342
Molecular FormulaC3H6Cl2ORu
Molecular Weight230.06 g/mol
Exact Mass229.88
IUPAC Namedichlororuthenium;propan-2-one
SMILESCC(C)=O.Cl[Ru]Cl
InChIInChI=1S/C3H6O.2ClH.Ru/c1-3(2)4;;;/h1-2H3;2*1H;/q;;;+2/p-2
InChIKeyVQJMVKRTHAQRSF-UHFFFAOYSA-L
XLogP1.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze dichlororuthenium;propan-2-one 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

carbonyl dichloride;propan-2-one
CID 161102507
argon;propan-2-one
CID 19604749
Silane-acetone
CID 18680436
nickel;tris(propan-2-one)
CID 175333114
propan-2-one;zirconium
CID 87087539
silver bis(propan-2-one)
CID 71340648
methanol;propan-2-one;dihydrate
CID 158013024
methanol;propan-2-one;hydrate
CID 86590524
acetylene;propan-2-one
CID 175379090
chromium(6+);tris(oxygen(2-));propan-2-one
CID 173410195
propan-2-one;sulfur monoxide
CID 21387950
propane;propan-2-one
CID 90822370

Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;propan-2-one?
The IUPAC name of dichlororuthenium;propan-2-one (CID 161370342) is dichlororuthenium;propan-2-one.
What is the SMILES notation for dichlororuthenium;propan-2-one?
The canonical SMILES for dichlororuthenium;propan-2-one is CC(C)=O.Cl[Ru]Cl.
What is the InChIKey of dichlororuthenium;propan-2-one?
The InChIKey is VQJMVKRTHAQRSF-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H6O.2ClH.Ru/c1-3(2)4;;;/h1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlororuthenium;propan-2-one?
dichlororuthenium;propan-2-one has a molecular weight of 230.06 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;propan-2-one is sourced from PubChem (CID 161370342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).