bis(chromium(3+));tris(pentane-2,4-diolate)

C15H30Cr2O6 — CID 173281053

IUPACbis(chromium(3+));tris(pentane-2,4-diolate)
SMILESCC([O-])CC(C)[O-].CC([O-])CC(C)[O-].CC([O-])CC(C)[O-].[Cr+3].[Cr+3]
InChIInChI=1S/3C5H10O2.2Cr/c3*1-4(6)3-5(2)7;;/h3*4-5H,3H2,1-2H3;;/q3*-2;2*+3
InChIKeyMCLFQQLYUAFBEJ-UHFFFAOYSA-N
MW410.39 g/mol
LogP-3.38
Rot. Bonds6

About bis(chromium(3+));tris(pentane-2,4-diolate)

bis(chromium(3+));tris(pentane-2,4-diolate) (PubChem CID 173281053) has the molecular formula C15H30Cr2O6 and a molecular weight of 410.39 g/mol. Its IUPAC name is bis(chromium(3+));tris(pentane-2,4-diolate).

Molecular Properties

Compound Namebis(chromium(3+));tris(pentane-2,4-diolate)
PubChem CID173281053
Molecular FormulaC15H30Cr2O6
Molecular Weight410.39 g/mol
Exact Mass410.09
IUPAC Namebis(chromium(3+));tris(pentane-2,4-diolate)
SMILESCC([O-])CC(C)[O-].CC([O-])CC(C)[O-].CC([O-])CC(C)[O-].[Cr+3].[Cr+3]
InChIInChI=1S/3C5H10O2.2Cr/c3*1-4(6)3-5(2)7;;/h3*4-5H,3H2,1-2H3;;/q3*-2;2*+3
InChIKeyMCLFQQLYUAFBEJ-UHFFFAOYSA-N
XLogP-3.38
TPSA138.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 5-3.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 91971223
hafnium;bis(propan-2-olate)
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Frequently Asked Questions

What is the IUPAC name of bis(chromium(3+));tris(pentane-2,4-diolate)?
The IUPAC name of bis(chromium(3+));tris(pentane-2,4-diolate) (CID 173281053) is bis(chromium(3+));tris(pentane-2,4-diolate).
What is the SMILES notation for bis(chromium(3+));tris(pentane-2,4-diolate)?
The canonical SMILES for bis(chromium(3+));tris(pentane-2,4-diolate) is CC([O-])CC(C)[O-].CC([O-])CC(C)[O-].CC([O-])CC(C)[O-].[Cr+3].[Cr+3].
What is the InChIKey of bis(chromium(3+));tris(pentane-2,4-diolate)?
The InChIKey is MCLFQQLYUAFBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H10O2.2Cr/c3*1-4(6)3-5(2)7;;/h3*4-5H,3H2,1-2H3;;/q3*-2;2*+3.
What are the key properties of bis(chromium(3+));tris(pentane-2,4-diolate)?
bis(chromium(3+));tris(pentane-2,4-diolate) has a molecular weight of 410.39 g/mol, XLogP of -3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chromium(3+));tris(pentane-2,4-diolate) is sourced from PubChem (CID 173281053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).