bis(chromium(3+));hexakis(tetradecanoate)

C84H162Cr2O12 — CID 161038412

IUPACbis(chromium(3+));hexakis(tetradecanoate)
SMILESCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].[Cr+3].[Cr+3]
InChIInChI=1S/6C14H28O2.2Cr/c6*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;/h6*2-13H2,1H3,(H,15,16);;/q;;;;;;2*+3/p-6
InChIKeyUAOGTZBWQLXAJW-UHFFFAOYSA-H
MW1468.20 g/mol
LogP20.62
Rot. Bonds72

About bis(chromium(3+));hexakis(tetradecanoate)

bis(chromium(3+));hexakis(tetradecanoate) (PubChem CID 161038412) has the molecular formula C84H162Cr2O12 and a molecular weight of 1468.20 g/mol. Its IUPAC name is bis(chromium(3+));hexakis(tetradecanoate).

Molecular Properties

Compound Namebis(chromium(3+));hexakis(tetradecanoate)
PubChem CID161038412
Molecular FormulaC84H162Cr2O12
Molecular Weight1468.20 g/mol
Exact Mass1467.09
IUPAC Namebis(chromium(3+));hexakis(tetradecanoate)
SMILESCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].[Cr+3].[Cr+3]
InChIInChI=1S/6C14H28O2.2Cr/c6*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;/h6*2-13H2,1H3,(H,15,16);;/q;;;;;;2*+3/p-6
InChIKeyUAOGTZBWQLXAJW-UHFFFAOYSA-H
XLogP20.62
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds72
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001468.20
LogP ≤ 520.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

bis(chromium(3+));tetradecanoate;pentahydroxide
CID 138394583
CID 23623890
CID 23623890
octadecanoate
CID 3033836
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CID 87233709
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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

Frequently Asked Questions

What is the IUPAC name of bis(chromium(3+));hexakis(tetradecanoate)?
The IUPAC name of bis(chromium(3+));hexakis(tetradecanoate) (CID 161038412) is bis(chromium(3+));hexakis(tetradecanoate).
What is the SMILES notation for bis(chromium(3+));hexakis(tetradecanoate)?
The canonical SMILES for bis(chromium(3+));hexakis(tetradecanoate) is CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].[Cr+3].[Cr+3].
What is the InChIKey of bis(chromium(3+));hexakis(tetradecanoate)?
The InChIKey is UAOGTZBWQLXAJW-UHFFFAOYSA-H. The full InChI is InChI=1S/6C14H28O2.2Cr/c6*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;/h6*2-13H2,1H3,(H,15,16);;/q;;;;;;2*+3/p-6.
What are the key properties of bis(chromium(3+));hexakis(tetradecanoate)?
bis(chromium(3+));hexakis(tetradecanoate) has a molecular weight of 1468.20 g/mol, XLogP of 20.62, 72 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chromium(3+));hexakis(tetradecanoate) is sourced from PubChem (CID 161038412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).