chromium(3+);tris((Z)-3-methyl-4-oxopent-2-en-2-olate)

C18H27CrO6 — CID 5483673

IUPACchromium(3+);tris((Z)-3-methyl-4-oxopent-2-en-2-olate)
SMILESCC(=O)/C(C)=C(/C)[O-].CC(=O)/C(C)=C(/C)[O-].CC(=O)/C(C)=C(/C)[O-].[Cr+3]
InChIInChI=1S/3C6H10O2.Cr/c3*1-4(5(2)7)6(3)8;/h3*7H,1-3H3;/q;;;+3/p-3/b3*5-4-;
InChIKeyUWZVZQVYADCZFC-VNGPFPIXSA-K
MW391.40 g/mol
LogP0.69
Rot. Bonds3

About chromium(3+);tris((Z)-3-methyl-4-oxopent-2-en-2-olate)

chromium(3+);tris((Z)-3-methyl-4-oxopent-2-en-2-olate) (PubChem CID 5483673) has the molecular formula C18H27CrO6 and a molecular weight of 391.40 g/mol. Its IUPAC name is chromium(3+);tris((Z)-3-methyl-4-oxopent-2-en-2-olate).

Molecular Properties

Compound Namechromium(3+);tris((Z)-3-methyl-4-oxopent-2-en-2-olate)
PubChem CID5483673
Molecular FormulaC18H27CrO6
Molecular Weight391.40 g/mol
Exact Mass391.12
IUPAC Namechromium(3+);tris((Z)-3-methyl-4-oxopent-2-en-2-olate)
SMILESCC(=O)/C(C)=C(/C)[O-].CC(=O)/C(C)=C(/C)[O-].CC(=O)/C(C)=C(/C)[O-].[Cr+3]
InChIInChI=1S/3C6H10O2.Cr/c3*1-4(5(2)7)6(3)8;/h3*7H,1-3H3;/q;;;+3/p-3/b3*5-4-;
InChIKeyUWZVZQVYADCZFC-VNGPFPIXSA-K
XLogP0.69
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

trisodium;acetate;carbonate
CID 169079974
bis(manganese(2+));acetate;carbonate
CID 158739591
chromium;chromium(3+);triacetate
CID 173100599
magnesium;chromium(3+);carbonate
CID 159907532
cesium 2-oxopropanoate
CID 23676701
tricalcium;acetate;carbonate;chloride
CID 159671387
bis(3-acetyl-4-oxopent-2-en-2-olate);cobalt(2+)
CID 15757081
(indium(3+)) diacetate
CID 173450278
terbium(3+) acetate
CID 22482914
sodium;chromium(3+);carbonate;hydroxide
CID 158360584
zirconium acetate
CID 18596
uranium hexaacetate
CID 20541057

Frequently Asked Questions

What is the IUPAC name of chromium(3+);tris((Z)-3-methyl-4-oxopent-2-en-2-olate)?
The IUPAC name of chromium(3+);tris((Z)-3-methyl-4-oxopent-2-en-2-olate) (CID 5483673) is chromium(3+);tris((Z)-3-methyl-4-oxopent-2-en-2-olate).
What is the SMILES notation for chromium(3+);tris((Z)-3-methyl-4-oxopent-2-en-2-olate)?
The canonical SMILES for chromium(3+);tris((Z)-3-methyl-4-oxopent-2-en-2-olate) is CC(=O)/C(C)=C(/C)[O-].CC(=O)/C(C)=C(/C)[O-].CC(=O)/C(C)=C(/C)[O-].[Cr+3].
What is the InChIKey of chromium(3+);tris((Z)-3-methyl-4-oxopent-2-en-2-olate)?
The InChIKey is UWZVZQVYADCZFC-VNGPFPIXSA-K. The full InChI is InChI=1S/3C6H10O2.Cr/c3*1-4(5(2)7)6(3)8;/h3*7H,1-3H3;/q;;;+3/p-3/b3*5-4-;.
What are the key properties of chromium(3+);tris((Z)-3-methyl-4-oxopent-2-en-2-olate)?
chromium(3+);tris((Z)-3-methyl-4-oxopent-2-en-2-olate) has a molecular weight of 391.40 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);tris((Z)-3-methyl-4-oxopent-2-en-2-olate) is sourced from PubChem (CID 5483673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).