3-methylbutan-2-one;yttrium(3+)

C5H9OY+2 — CID 23390008

IUPAC3-methylbutan-2-one;yttrium(3+)
SMILESCC(=O)[C-](C)C.[Y+3]
InChIInChI=1S/C5H9O.Y/c1-4(2)5(3)6;/h1-3H3;/q-1;+3
InChIKeyIMOHOQBJFOFAAX-UHFFFAOYSA-N
MW174.03 g/mol
LogP1.19
Rot. Bonds1

About 3-methylbutan-2-one;yttrium(3+)

3-methylbutan-2-one;yttrium(3+) (PubChem CID 23390008) has the molecular formula C5H9OY+2 and a molecular weight of 174.03 g/mol. Its IUPAC name is 3-methylbutan-2-one;yttrium(3+).

Molecular Properties

Compound Name3-methylbutan-2-one;yttrium(3+)
PubChem CID23390008
Molecular FormulaC5H9OY+2
Molecular Weight174.03 g/mol
Exact Mass173.97
IUPAC Name3-methylbutan-2-one;yttrium(3+)
SMILESCC(=O)[C-](C)C.[Y+3]
InChIInChI=1S/C5H9O.Y/c1-4(2)5(3)6;/h1-3H3;/q-1;+3
InChIKeyIMOHOQBJFOFAAX-UHFFFAOYSA-N
XLogP1.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.03
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethylpentan-2-one;methane;2-methylbutane;3-methylbutan-2-one;tris(yttrium)
CID 162038151
yttrium(3+);triacetate;hydrate
CID 57376990
bis(yttrium(3+));diacetate;tetrahydrate
CID 161152203
potassium;carbonic acid;2-methylpropane
CID 87220631
silver bis(propan-2-one)
CID 71340648
nickel;tris(propan-2-one)
CID 175333114
CID 5359261
CID 5359261
Silane-acetone
CID 18680436
acetic acid
CID 158444727
propan-2-one;zirconium
CID 87087539
argon;propan-2-one
CID 19604749
N-methyl-N-(3-oxobutan-2-yl)acetamide;yttrium
CID 59349217

Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-2-one;yttrium(3+)?
The IUPAC name of 3-methylbutan-2-one;yttrium(3+) (CID 23390008) is 3-methylbutan-2-one;yttrium(3+).
What is the SMILES notation for 3-methylbutan-2-one;yttrium(3+)?
The canonical SMILES for 3-methylbutan-2-one;yttrium(3+) is CC(=O)[C-](C)C.[Y+3].
What is the InChIKey of 3-methylbutan-2-one;yttrium(3+)?
The InChIKey is IMOHOQBJFOFAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O.Y/c1-4(2)5(3)6;/h1-3H3;/q-1;+3.
What are the key properties of 3-methylbutan-2-one;yttrium(3+)?
3-methylbutan-2-one;yttrium(3+) has a molecular weight of 174.03 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-2-one;yttrium(3+) is sourced from PubChem (CID 23390008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).