fermium;[[1-hydroxy-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propan-2-yl]amino]methanone

C12H24FmNO5- — CID 167509076

IUPACfermium;[[1-hydroxy-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propan-2-yl]amino]methanone
SMILESCC(C)(C)OCCOCCOCC(CO)N[C-]=O.[Fm]
InChIInChI=1S/C12H24NO5.Fm/c1-12(2,3)18-7-6-16-4-5-17-9-11(8-14)13-10-15;/h11,14H,4-9H2,1-3H3,(H,13,15);/q-1;
InChIKeyIQDSLIKOQHYMNO-UHFFFAOYSA-N
MW519.33 g/mol
LogP-0.15
Rot. Bonds11

About fermium;[[1-hydroxy-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propan-2-yl]amino]methanone

fermium;[[1-hydroxy-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propan-2-yl]amino]methanone (PubChem CID 167509076) has the molecular formula C12H24FmNO5- and a molecular weight of 519.33 g/mol. Its IUPAC name is fermium;[[1-hydroxy-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propan-2-yl]amino]methanone.

Molecular Properties

Compound Namefermium;[[1-hydroxy-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propan-2-yl]amino]methanone
PubChem CID167509076
Molecular FormulaC12H24FmNO5-
Molecular Weight519.33 g/mol
Exact Mass519.26
IUPAC Namefermium;[[1-hydroxy-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propan-2-yl]amino]methanone
SMILESCC(C)(C)OCCOCCOCC(CO)N[C-]=O.[Fm]
InChIInChI=1S/C12H24NO5.Fm/c1-12(2,3)18-7-6-16-4-5-17-9-11(8-14)13-10-15;/h11,14H,4-9H2,1-3H3,(H,13,15);/q-1;
InChIKeyIQDSLIKOQHYMNO-UHFFFAOYSA-N
XLogP-0.15
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fermium;[[1-hydroxy-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propan-2-yl]amino]methanone?
The IUPAC name of fermium;[[1-hydroxy-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propan-2-yl]amino]methanone (CID 167509076) is fermium;[[1-hydroxy-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propan-2-yl]amino]methanone.
What is the SMILES notation for fermium;[[1-hydroxy-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propan-2-yl]amino]methanone?
The canonical SMILES for fermium;[[1-hydroxy-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propan-2-yl]amino]methanone is CC(C)(C)OCCOCCOCC(CO)N[C-]=O.[Fm].
What is the InChIKey of fermium;[[1-hydroxy-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propan-2-yl]amino]methanone?
The InChIKey is IQDSLIKOQHYMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NO5.Fm/c1-12(2,3)18-7-6-16-4-5-17-9-11(8-14)13-10-15;/h11,14H,4-9H2,1-3H3,(H,13,15);/q-1;.
What are the key properties of fermium;[[1-hydroxy-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propan-2-yl]amino]methanone?
fermium;[[1-hydroxy-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propan-2-yl]amino]methanone has a molecular weight of 519.33 g/mol, XLogP of -0.15, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fermium;[[1-hydroxy-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propan-2-yl]amino]methanone is sourced from PubChem (CID 167509076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).