4-hydroxybutan-2-one;yttrium

C4H7O2Y- — CID 58761109

IUPAC4-hydroxybutan-2-one;yttrium
SMILESCC(=O)C[CH-]O.[Y]
InChIInChI=1S/C4H7O2.Y/c1-4(6)2-3-5;/h3,5H,2H2,1H3;/q-1;
InChIKeyYAOHLBSUNUOTFB-UHFFFAOYSA-N
MW176.00 g/mol
LogP0.50
Rot. Bonds2

About 4-hydroxybutan-2-one;yttrium

4-hydroxybutan-2-one;yttrium (PubChem CID 58761109) has the molecular formula C4H7O2Y- and a molecular weight of 176.00 g/mol. Its IUPAC name is 4-hydroxybutan-2-one;yttrium.

Molecular Properties

Compound Name4-hydroxybutan-2-one;yttrium
PubChem CID58761109
Molecular FormulaC4H7O2Y-
Molecular Weight176.00 g/mol
Exact Mass175.95
IUPAC Name4-hydroxybutan-2-one;yttrium
SMILESCC(=O)C[CH-]O.[Y]
InChIInChI=1S/C4H7O2.Y/c1-4(6)2-3-5;/h3,5H,2H2,1H3;/q-1;
InChIKeyYAOHLBSUNUOTFB-UHFFFAOYSA-N
XLogP0.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.00
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxybutan-2-one;vanadium
CID 59796959
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
methylazanide;pentane-2,4-dione;yttrium
CID 158650555
Lithium pentane-2,4-dione
CID 86735745
hexane-2,5-dione
CID 8035
4-hydroxybutan-2-one;yttrium
CID 176852121
acetic acid;tris(yttrium)
CID 59994727
7-hydroxy-4-(hydroxymethylsulfanyl)heptan-2-one;yttrium
CID 158989536
1-bromopropan-2-one;ethane
CID 171800976
CID 159548628
CID 159548628
CID 87073525
CID 87073525

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybutan-2-one;yttrium?
The IUPAC name of 4-hydroxybutan-2-one;yttrium (CID 58761109) 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)C[CH-]O.[Y].
What is the InChIKey of 4-hydroxybutan-2-one;yttrium?
The InChIKey is YAOHLBSUNUOTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O2.Y/c1-4(6)2-3-5;/h3,5H,2H2,1H3;/q-1;.
What are the key properties of 4-hydroxybutan-2-one;yttrium?
4-hydroxybutan-2-one;yttrium has a molecular weight of 176.00 g/mol, XLogP of 0.50, 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 58761109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).