acetyl 2-acetyl-3-oxobutanoate;yttrium

C8H10O5Y — CID 174647881

IUPACacetyl 2-acetyl-3-oxobutanoate;yttrium
SMILESCC(=O)OC(=O)C(C(C)=O)C(C)=O.[Y]
InChIInChI=1S/C8H10O5.Y/c1-4(9)7(5(2)10)8(12)13-6(3)11;/h7H,1-3H3;
InChIKeyMAKMLQPLXUJNLT-UHFFFAOYSA-N
MW275.07 g/mol
LogP-0.13
Rot. Bonds3

About acetyl 2-acetyl-3-oxobutanoate;yttrium

acetyl 2-acetyl-3-oxobutanoate;yttrium (PubChem CID 174647881) has the molecular formula C8H10O5Y and a molecular weight of 275.07 g/mol. Its IUPAC name is acetyl 2-acetyl-3-oxobutanoate;yttrium.

Molecular Properties

Compound Nameacetyl 2-acetyl-3-oxobutanoate;yttrium
PubChem CID174647881
Molecular FormulaC8H10O5Y
Molecular Weight275.07 g/mol
Exact Mass274.96
IUPAC Nameacetyl 2-acetyl-3-oxobutanoate;yttrium
SMILESCC(=O)OC(=O)C(C(C)=O)C(C)=O.[Y]
InChIInChI=1S/C8H10O5.Y/c1-4(9)7(5(2)10)8(12)13-6(3)11;/h7H,1-3H3;
InChIKeyMAKMLQPLXUJNLT-UHFFFAOYSA-N
XLogP-0.13
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.07
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

acetyl (2R)-2-aminopropanoate
CID 11829476
aluminum;acetyl acetate;trichloride
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1-O-acetyl 4-O-(4-acetyloxy-3-hydroxy-4-oxobutanoyl) 2-hydroxybutanedioate
CID 88731949
CID 172758325
CID 172758325
CID 160689228
CID 160689228
3-acetylpentane-2,4-dione;hafnium
CID 87389102
acetyl acetate;hydrochloride
CID 87138027
acetyl acetate;chromium(2+)
CID 19978523
(2-acetyl-3-oxobutanoyl) 4-hydroxybenzoate
CID 175496943
acetyl 2-nitrooxy-3-oxobutanoate
CID 139618510
4-acetyloxy-3-hydroxy-4-oxobutanoic acid
CID 22352104
4-acetyloxy-2,3-dihydroxy-4-oxobutanoic acid;hydrate
CID 174347069

Frequently Asked Questions

What is the IUPAC name of acetyl 2-acetyl-3-oxobutanoate;yttrium?
The IUPAC name of acetyl 2-acetyl-3-oxobutanoate;yttrium (CID 174647881) is acetyl 2-acetyl-3-oxobutanoate;yttrium.
What is the SMILES notation for acetyl 2-acetyl-3-oxobutanoate;yttrium?
The canonical SMILES for acetyl 2-acetyl-3-oxobutanoate;yttrium is CC(=O)OC(=O)C(C(C)=O)C(C)=O.[Y].
What is the InChIKey of acetyl 2-acetyl-3-oxobutanoate;yttrium?
The InChIKey is MAKMLQPLXUJNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5.Y/c1-4(9)7(5(2)10)8(12)13-6(3)11;/h7H,1-3H3;.
What are the key properties of acetyl 2-acetyl-3-oxobutanoate;yttrium?
acetyl 2-acetyl-3-oxobutanoate;yttrium has a molecular weight of 275.07 g/mol, XLogP of -0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 2-acetyl-3-oxobutanoate;yttrium is sourced from PubChem (CID 174647881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).