4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;yttrium

C8H13O4Y- — CID 148912646

IUPAC4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;yttrium
SMILESCC(C)(C)OC(=O)C[CH-]C(=O)O.[Y]
InChIInChI=1S/C8H13O4.Y/c1-8(2,3)12-7(11)5-4-6(9)10;/h4H,5H2,1-3H3,(H,9,10);/q-1;
InChIKeyCDLDXNLWCDJOEF-UHFFFAOYSA-N
MW262.09 g/mol
LogP1.00
Rot. Bonds3

About 4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;yttrium

4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;yttrium (PubChem CID 148912646) has the molecular formula C8H13O4Y- and a molecular weight of 262.09 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;yttrium.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;yttrium
PubChem CID148912646
Molecular FormulaC8H13O4Y-
Molecular Weight262.09 g/mol
Exact Mass261.99
IUPAC Name4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;yttrium
SMILESCC(C)(C)OC(=O)C[CH-]C(=O)O.[Y]
InChIInChI=1S/C8H13O4.Y/c1-8(2,3)12-7(11)5-4-6(9)10;/h4H,5H2,1-3H3,(H,9,10);/q-1;
InChIKeyCDLDXNLWCDJOEF-UHFFFAOYSA-N
XLogP1.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ditert-butyl pentanedioate
CID 3016405
3-O-tert-butyl 1-O-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl] propanedioate
CID 141468751
tert-butyl propanoate;hydrobromide
CID 172778720
tert-butyl 2-(2,2-dimethylpropoxy)acetate
CID 158641779
CID 89305747
CID 89305747
3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 15631255
2,2-dihydroxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 91245565
tert-butyl 2-(methylamino)acetate;hydron;chloride
CID 45382244
lithium;potassium;hydride;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 174967926
tert-butyl 3,3-dimethylbutanoate;methane
CID 161060184
tert-butyl 2-aminoacetate;ethane
CID 143116857
tert-butyl oct-7-ynoate
CID 162776482

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;yttrium?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;yttrium (CID 148912646) is 4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;yttrium.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;yttrium?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;yttrium is CC(C)(C)OC(=O)C[CH-]C(=O)O.[Y].
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;yttrium?
The InChIKey is CDLDXNLWCDJOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O4.Y/c1-8(2,3)12-7(11)5-4-6(9)10;/h4H,5H2,1-3H3,(H,9,10);/q-1;.
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;yttrium?
4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;yttrium has a molecular weight of 262.09 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;yttrium is sourced from PubChem (CID 148912646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).