chromium;tetrakis(ethane-1,1-diol);piperidin-1-ide;2H-pyridin-1-ide

C18H40Cr2N2O8-2 — CID 5231730

IUPACchromium;tetrakis(ethane-1,1-diol);piperidin-1-ide;2H-pyridin-1-ide
SMILESC1=CC[N-]C=C1.C1CC[N-]CC1.CC(O)O.CC(O)O.CC(O)O.CC(O)O.[Cr].[Cr]
InChIInChI=1S/C5H10N.C5H6N.4C2H6O2.2Cr/c2*1-2-4-6-5-3-1;4*1-2(3)4;;/h1-5H2;1-4H,5H2;4*2-4H,1H3;;/q2*-1;;;;;;
InChIKeyOZFGNVHLVKNLNL-UHFFFAOYSA-N
MW516.52 g/mol
LogP0.25
Rot. Bonds

About chromium;tetrakis(ethane-1,1-diol);piperidin-1-ide;2H-pyridin-1-ide

chromium;tetrakis(ethane-1,1-diol);piperidin-1-ide;2H-pyridin-1-ide (PubChem CID 5231730) has the molecular formula C18H40Cr2N2O8-2 and a molecular weight of 516.52 g/mol. Its IUPAC name is chromium;tetrakis(ethane-1,1-diol);piperidin-1-ide;2H-pyridin-1-ide.

Molecular Properties

Compound Namechromium;tetrakis(ethane-1,1-diol);piperidin-1-ide;2H-pyridin-1-ide
PubChem CID5231730
Molecular FormulaC18H40Cr2N2O8-2
Molecular Weight516.52 g/mol
Exact Mass516.16
IUPAC Namechromium;tetrakis(ethane-1,1-diol);piperidin-1-ide;2H-pyridin-1-ide
SMILESC1=CC[N-]C=C1.C1CC[N-]CC1.CC(O)O.CC(O)O.CC(O)O.CC(O)O.[Cr].[Cr]
InChIInChI=1S/C5H10N.C5H6N.4C2H6O2.2Cr/c2*1-2-4-6-5-3-1;4*1-2(3)4;;/h1-5H2;1-4H,5H2;4*2-4H,1H3;;/q2*-1;;;;;;
InChIKeyOZFGNVHLVKNLNL-UHFFFAOYSA-N
XLogP0.25
TPSA190.04 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.52
LogP ≤ 50.25
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of chromium;tetrakis(ethane-1,1-diol);piperidin-1-ide;2H-pyridin-1-ide?
The IUPAC name of chromium;tetrakis(ethane-1,1-diol);piperidin-1-ide;2H-pyridin-1-ide (CID 5231730) is chromium;tetrakis(ethane-1,1-diol);piperidin-1-ide;2H-pyridin-1-ide.
What is the SMILES notation for chromium;tetrakis(ethane-1,1-diol);piperidin-1-ide;2H-pyridin-1-ide?
The canonical SMILES for chromium;tetrakis(ethane-1,1-diol);piperidin-1-ide;2H-pyridin-1-ide is C1=CC[N-]C=C1.C1CC[N-]CC1.CC(O)O.CC(O)O.CC(O)O.CC(O)O.[Cr].[Cr].
What is the InChIKey of chromium;tetrakis(ethane-1,1-diol);piperidin-1-ide;2H-pyridin-1-ide?
The InChIKey is OZFGNVHLVKNLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N.C5H6N.4C2H6O2.2Cr/c2*1-2-4-6-5-3-1;4*1-2(3)4;;/h1-5H2;1-4H,5H2;4*2-4H,1H3;;/q2*-1;;;;;;.
What are the key properties of chromium;tetrakis(ethane-1,1-diol);piperidin-1-ide;2H-pyridin-1-ide?
chromium;tetrakis(ethane-1,1-diol);piperidin-1-ide;2H-pyridin-1-ide has a molecular weight of 516.52 g/mol, XLogP of 0.25, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;tetrakis(ethane-1,1-diol);piperidin-1-ide;2H-pyridin-1-ide is sourced from PubChem (CID 5231730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).