chromium(2+);bis(heptanoate)

C14H26CrO4 — CID 22759575

IUPACchromium(2+);bis(heptanoate)
SMILESCCCCCCC(=O)[O-].CCCCCCC(=O)[O-].[Cr+2]
InChIInChI=1S/2C7H14O2.Cr/c2*1-2-3-4-5-6-7(8)9;/h2*2-6H2,1H3,(H,8,9);/q;;+2/p-2
InChIKeyCZPDWLPNISOUFN-UHFFFAOYSA-L
MW310.35 g/mol
LogP1.41
Rot. Bonds10

About chromium(2+);bis(heptanoate)

chromium(2+);bis(heptanoate) (PubChem CID 22759575) has the molecular formula C14H26CrO4 and a molecular weight of 310.35 g/mol. Its IUPAC name is chromium(2+);bis(heptanoate).

Molecular Properties

Compound Namechromium(2+);bis(heptanoate)
PubChem CID22759575
Molecular FormulaC14H26CrO4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Namechromium(2+);bis(heptanoate)
SMILESCCCCCCC(=O)[O-].CCCCCCC(=O)[O-].[Cr+2]
InChIInChI=1S/2C7H14O2.Cr/c2*1-2-3-4-5-6-7(8)9;/h2*2-6H2,1H3,(H,8,9);/q;;+2/p-2
InChIKeyCZPDWLPNISOUFN-UHFFFAOYSA-L
XLogP1.41
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 23623890
CID 23623890
octadecanoate
CID 3033836
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CID 18764696
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
decanoate;lanthanum(3+)
CID 21139452
calcium;hexadecanoate;octadecanoate
CID 22065418
bis(undecanoate);zirconium(2+)
CID 18995554
manganese(2+);bis(tricosanoate)
CID 100951425
tetrakis(octadecanoate);thorium(4+)
CID 160802738

Frequently Asked Questions

What is the IUPAC name of chromium(2+);bis(heptanoate)?
The IUPAC name of chromium(2+);bis(heptanoate) (CID 22759575) is chromium(2+);bis(heptanoate).
What is the SMILES notation for chromium(2+);bis(heptanoate)?
The canonical SMILES for chromium(2+);bis(heptanoate) is CCCCCCC(=O)[O-].CCCCCCC(=O)[O-].[Cr+2].
What is the InChIKey of chromium(2+);bis(heptanoate)?
The InChIKey is CZPDWLPNISOUFN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H14O2.Cr/c2*1-2-3-4-5-6-7(8)9;/h2*2-6H2,1H3,(H,8,9);/q;;+2/p-2.
What are the key properties of chromium(2+);bis(heptanoate)?
chromium(2+);bis(heptanoate) has a molecular weight of 310.35 g/mol, XLogP of 1.41, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(2+);bis(heptanoate) is sourced from PubChem (CID 22759575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).