actinium;2-ethylpropane-1,3-diol;yttrium

C5H11Ac2O2Y- — CID 59047614

IUPACactinium;2-ethylpropane-1,3-diol;yttrium
SMILES[Ac].[Ac].[CH2-]CC(CO)CO.[Y]
InChIInChI=1S/C5H11O2.2Ac.Y/c1-2-5(3-6)4-7;;;/h5-7H,1-4H2;;;/q-1;;;
InChIKeyWMCZHMXDZTWYKA-UHFFFAOYSA-N
MW646.05 g/mol
LogP-0.19
Rot. Bonds3

About actinium;2-ethylpropane-1,3-diol;yttrium

actinium;2-ethylpropane-1,3-diol;yttrium (PubChem CID 59047614) has the molecular formula C5H11Ac2O2Y- and a molecular weight of 646.05 g/mol. Its IUPAC name is actinium;2-ethylpropane-1,3-diol;yttrium.

Molecular Properties

Compound Nameactinium;2-ethylpropane-1,3-diol;yttrium
PubChem CID59047614
Molecular FormulaC5H11Ac2O2Y-
Molecular Weight646.05 g/mol
Exact Mass646.04
IUPAC Nameactinium;2-ethylpropane-1,3-diol;yttrium
SMILES[Ac].[Ac].[CH2-]CC(CO)CO.[Y]
InChIInChI=1S/C5H11O2.2Ac.Y/c1-2-5(3-6)4-7;;;/h5-7H,1-4H2;;;/q-1;;;
InChIKeyWMCZHMXDZTWYKA-UHFFFAOYSA-N
XLogP-0.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500646.05
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-methylhexane;yttrium
CID 58009185
2-(silylmethyl)propane-1,3-diol
CID 175303794
3,7-dimethyl-5-(2-methylbutyl)nonane;tris(yttrium)
CID 58697885
CID 123234471
CID 123234471
2-[[3-hydroxy-2-(hydroxymethyl)propoxy]methyl]propane-1,3-diol
CID 122377868
bis(2-methylbutane);yttrium
CID 140616958
sodium propane-1,1-diol
CID 174311300
cobalt(2+);ethanol
CID 23518270
4-bromo-2-(2-bromoethyl)butan-1-ol
CID 144850163
CID 59269692
CID 59269692
sodium;2-methylpropan-1-ol;chloride
CID 172733950
2-(fluoromethyl)butan-1-ol
CID 59510838

Frequently Asked Questions

What is the IUPAC name of actinium;2-ethylpropane-1,3-diol;yttrium?
The IUPAC name of actinium;2-ethylpropane-1,3-diol;yttrium (CID 59047614) is actinium;2-ethylpropane-1,3-diol;yttrium.
What is the SMILES notation for actinium;2-ethylpropane-1,3-diol;yttrium?
The canonical SMILES for actinium;2-ethylpropane-1,3-diol;yttrium is [Ac].[Ac].[CH2-]CC(CO)CO.[Y].
What is the InChIKey of actinium;2-ethylpropane-1,3-diol;yttrium?
The InChIKey is WMCZHMXDZTWYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O2.2Ac.Y/c1-2-5(3-6)4-7;;;/h5-7H,1-4H2;;;/q-1;;;.
What are the key properties of actinium;2-ethylpropane-1,3-diol;yttrium?
actinium;2-ethylpropane-1,3-diol;yttrium has a molecular weight of 646.05 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;2-ethylpropane-1,3-diol;yttrium is sourced from PubChem (CID 59047614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).