4-hydroxybutan-2-one;yttrium

C4H8O2Y — CID 176852121

IUPAC4-hydroxybutan-2-one;yttrium
SMILESCC(=O)CCO.[Y]
InChIInChI=1S/C4H8O2.Y/c1-4(6)2-3-5;/h5H,2-3H2,1H3;
InChIKeyPODXSAYOHDENFY-UHFFFAOYSA-N
MW177.01 g/mol
LogP-0.04
Rot. Bonds2

About 4-hydroxybutan-2-one;yttrium

4-hydroxybutan-2-one;yttrium (PubChem CID 176852121) has the molecular formula C4H8O2Y and a molecular weight of 177.01 g/mol. Its IUPAC name is 4-hydroxybutan-2-one;yttrium.

Molecular Properties

Compound Name4-hydroxybutan-2-one;yttrium
PubChem CID176852121
Molecular FormulaC4H8O2Y
Molecular Weight177.01 g/mol
Exact Mass176.96
IUPAC Name4-hydroxybutan-2-one;yttrium
SMILESCC(=O)CCO.[Y]
InChIInChI=1S/C4H8O2.Y/c1-4(6)2-3-5;/h5H,2-3H2,1H3;
InChIKeyPODXSAYOHDENFY-UHFFFAOYSA-N
XLogP-0.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.01
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxybutan-2-one;titanium
CID 174617522
hexane-2,5-dione
CID 8035
5-hydroxypentan-2-one
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4-hydroxybutan-2-one;3-methoxypropanoic acid
CID 162245301
2-hydroxyethyl-methyl-(2-oxopropyl)azanium chloride
CID 141048254
19-hydroxynonadecan-2-one
CID 123829227
21-hydroxyhenicosan-2-one
CID 153324955
CID 171375174
CID 171375174
1-hydroxy-5-(3-oxobutoxy)pentan-3-one
CID 90975845
bis(ethane-1,2-diol);bis(propan-2-one)
CID 158462178
ethene;9-hydroxynonan-2-one
CID 23344517
butane-1,4-diol;bis(4-oxopentanoic acid)
CID 87560661

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybutan-2-one;yttrium?
The IUPAC name of 4-hydroxybutan-2-one;yttrium (CID 176852121) is 4-hydroxybutan-2-one;yttrium.
What is the SMILES notation for 4-hydroxybutan-2-one;yttrium?
The canonical SMILES for 4-hydroxybutan-2-one;yttrium is CC(=O)CCO.[Y].
What is the InChIKey of 4-hydroxybutan-2-one;yttrium?
The InChIKey is PODXSAYOHDENFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.Y/c1-4(6)2-3-5;/h5H,2-3H2,1H3;.
What are the key properties of 4-hydroxybutan-2-one;yttrium?
4-hydroxybutan-2-one;yttrium has a molecular weight of 177.01 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybutan-2-one;yttrium is sourced from PubChem (CID 176852121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).