2-oxoethyl acetate;yttrium

C4H5O3Y- — CID 59942705

IUPAC2-oxoethyl acetate;yttrium
SMILESCC(=O)OC[C-]=O.[Y]
InChIInChI=1S/C4H5O3.Y/c1-4(6)7-3-2-5;/h3H2,1H3;/q-1;
InChIKeyUNZRNPBZBCDODU-UHFFFAOYSA-N
MW189.99 g/mol
LogP-0.34
Rot. Bonds2

About 2-oxoethyl acetate;yttrium

2-oxoethyl acetate;yttrium (PubChem CID 59942705) has the molecular formula C4H5O3Y- and a molecular weight of 189.99 g/mol. Its IUPAC name is 2-oxoethyl acetate;yttrium.

Molecular Properties

Compound Name2-oxoethyl acetate;yttrium
PubChem CID59942705
Molecular FormulaC4H5O3Y-
Molecular Weight189.99 g/mol
Exact Mass189.93
IUPAC Name2-oxoethyl acetate;yttrium
SMILESCC(=O)OC[C-]=O.[Y]
InChIInChI=1S/C4H5O3.Y/c1-4(6)7-3-2-5;/h3H2,1H3;/q-1;
InChIKeyUNZRNPBZBCDODU-UHFFFAOYSA-N
XLogP-0.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.99
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetyloxymethyl acetate;azane
CID 172795061
propyl acetate;yttrium
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ethyl acetate;methanol
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ethyl acetate;methanol
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ethyl acetate;dihydrochloride
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ethyl acetate;trihydrochloride
CID 141039771
aminomethyl acetate;hydrate
CID 173252999
ethyl acetate;λ2-plumbane
CID 173068495
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
aminomethyl acetate;dihydrochloride
CID 175752598
ethyl acetate;hydroiodide
CID 159926796

Frequently Asked Questions

What is the IUPAC name of 2-oxoethyl acetate;yttrium?
The IUPAC name of 2-oxoethyl acetate;yttrium (CID 59942705) is 2-oxoethyl acetate;yttrium.
What is the SMILES notation for 2-oxoethyl acetate;yttrium?
The canonical SMILES for 2-oxoethyl acetate;yttrium is CC(=O)OC[C-]=O.[Y].
What is the InChIKey of 2-oxoethyl acetate;yttrium?
The InChIKey is UNZRNPBZBCDODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5O3.Y/c1-4(6)7-3-2-5;/h3H2,1H3;/q-1;.
What are the key properties of 2-oxoethyl acetate;yttrium?
2-oxoethyl acetate;yttrium has a molecular weight of 189.99 g/mol, XLogP of -0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoethyl acetate;yttrium is sourced from PubChem (CID 59942705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).