chromium(3+);ethane;ethanone

C6H11CrO2 — CID 174976009

IUPACchromium(3+);ethane;ethanone
SMILESC[C-]=O.C[C-]=O.[CH2-]C.[Cr+3]
InChIInChI=1S/2C2H3O.C2H5.Cr/c2*1-2-3;1-2;/h2*1H3;1H2,2H3;/q3*-1;+3
InChIKeyXFDQWWCTKJTKER-UHFFFAOYSA-N
MW167.15 g/mol
LogP1.07
Rot. Bonds

About chromium(3+);ethane;ethanone

chromium(3+);ethane;ethanone (PubChem CID 174976009) has the molecular formula C6H11CrO2 and a molecular weight of 167.15 g/mol. Its IUPAC name is chromium(3+);ethane;ethanone.

Molecular Properties

Compound Namechromium(3+);ethane;ethanone
PubChem CID174976009
Molecular FormulaC6H11CrO2
Molecular Weight167.15 g/mol
Exact Mass167.02
IUPAC Namechromium(3+);ethane;ethanone
SMILESC[C-]=O.C[C-]=O.[CH2-]C.[Cr+3]
InChIInChI=1S/2C2H3O.C2H5.Cr/c2*1-2-3;1-2;/h2*1H3;1H2,2H3;/q3*-1;+3
InChIKeyXFDQWWCTKJTKER-UHFFFAOYSA-N
XLogP1.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethanone;palladium
CID 88825690
ethanone;lanthanum(3+)
CID 177438254
ethanone;zirconium
CID 158854782
ethanone;titanium
CID 71775225
ethanone;manganese(2+)
CID 23617191
ethanone;ruthenium(1+);hydrate
CID 158242584
ethanone;bis(rhodium(2+));hydrate
CID 11090502
ethanone;oxozinc
CID 58527707
ethanone;zirconium;tetrahydrochloride
CID 174366776
copper;ethane;ethanone;acetate
CID 23159113
tripotassium;carbanide;ethane;ethanone;propan-1-one
CID 59965042
bis(chromium(3+));ethane
CID 158634521

Frequently Asked Questions

What is the IUPAC name of chromium(3+);ethane;ethanone?
The IUPAC name of chromium(3+);ethane;ethanone (CID 174976009) is chromium(3+);ethane;ethanone.
What is the SMILES notation for chromium(3+);ethane;ethanone?
The canonical SMILES for chromium(3+);ethane;ethanone is C[C-]=O.C[C-]=O.[CH2-]C.[Cr+3].
What is the InChIKey of chromium(3+);ethane;ethanone?
The InChIKey is XFDQWWCTKJTKER-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H3O.C2H5.Cr/c2*1-2-3;1-2;/h2*1H3;1H2,2H3;/q3*-1;+3.
What are the key properties of chromium(3+);ethane;ethanone?
chromium(3+);ethane;ethanone has a molecular weight of 167.15 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);ethane;ethanone is sourced from PubChem (CID 174976009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).