pentane-2,4-dione;propan-2-one;ruthenium

C8H14O3Ru — CID 175213221

IUPACpentane-2,4-dione;propan-2-one;ruthenium
SMILESCC(=O)CC(C)=O.CC(C)=O.[Ru]
InChIInChI=1S/C5H8O2.C3H6O.Ru/c1-4(6)3-5(2)7;1-3(2)4;/h3H2,1-2H3;1-2H3;
InChIKeyDUUVXRMIVYIVCX-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.15
Rot. Bonds2

About pentane-2,4-dione;propan-2-one;ruthenium

pentane-2,4-dione;propan-2-one;ruthenium (PubChem CID 175213221) has the molecular formula C8H14O3Ru and a molecular weight of 259.27 g/mol. Its IUPAC name is pentane-2,4-dione;propan-2-one;ruthenium.

Molecular Properties

Compound Namepentane-2,4-dione;propan-2-one;ruthenium
PubChem CID175213221
Molecular FormulaC8H14O3Ru
Molecular Weight259.27 g/mol
Exact Mass260.00
IUPAC Namepentane-2,4-dione;propan-2-one;ruthenium
SMILESCC(=O)CC(C)=O.CC(C)=O.[Ru]
InChIInChI=1S/C5H8O2.C3H6O.Ru/c1-4(6)3-5(2)7;1-3(2)4;/h3H2,1-2H3;1-2H3;
InChIKeyDUUVXRMIVYIVCX-UHFFFAOYSA-N
XLogP1.15
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Lithium pentane-2,4-dione
CID 86735745
CID 159548628
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CID 87073525
CID 87073525
ethane;tris(pentane-2,4-dione)
CID 158826280
molybdenum(4+);tetrakis(pentane-2,4-dione)
CID 11705952
potassium pentane-2,4-dione
CID 19762724
barium(2+);pentane-2,4-dione
CID 23298949
CID 15855332
CID 15855332
nickel;pentane-2,4-dione
CID 158705791
silver pentane-2,4-dione
CID 21252539
CID 87579488
CID 87579488
lanthanum;pentane-2,4-dione;dihydrate
CID 158849371

Frequently Asked Questions

What is the IUPAC name of pentane-2,4-dione;propan-2-one;ruthenium?
The IUPAC name of pentane-2,4-dione;propan-2-one;ruthenium (CID 175213221) is pentane-2,4-dione;propan-2-one;ruthenium.
What is the SMILES notation for pentane-2,4-dione;propan-2-one;ruthenium?
The canonical SMILES for pentane-2,4-dione;propan-2-one;ruthenium is CC(=O)CC(C)=O.CC(C)=O.[Ru].
What is the InChIKey of pentane-2,4-dione;propan-2-one;ruthenium?
The InChIKey is DUUVXRMIVYIVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C3H6O.Ru/c1-4(6)3-5(2)7;1-3(2)4;/h3H2,1-2H3;1-2H3;.
What are the key properties of pentane-2,4-dione;propan-2-one;ruthenium?
pentane-2,4-dione;propan-2-one;ruthenium has a molecular weight of 259.27 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-2,4-dione;propan-2-one;ruthenium is sourced from PubChem (CID 175213221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).