2-oxoethyl 2-methoxybutanoate;yttrium

C7H11O4Y- — CID 58083925

IUPAC2-oxoethyl 2-methoxybutanoate;yttrium
SMILESCCC(OC)C(=O)OC[C-]=O.[Y]
InChIInChI=1S/C7H11O4.Y/c1-3-6(10-2)7(9)11-5-4-8;/h6H,3,5H2,1-2H3;/q-1;
InChIKeyPXLRFOATOXDMBV-UHFFFAOYSA-N
MW248.07 g/mol
LogP0.06
Rot. Bonds5

About 2-oxoethyl 2-methoxybutanoate;yttrium

2-oxoethyl 2-methoxybutanoate;yttrium (PubChem CID 58083925) has the molecular formula C7H11O4Y- and a molecular weight of 248.07 g/mol. Its IUPAC name is 2-oxoethyl 2-methoxybutanoate;yttrium.

Molecular Properties

Compound Name2-oxoethyl 2-methoxybutanoate;yttrium
PubChem CID58083925
Molecular FormulaC7H11O4Y-
Molecular Weight248.07 g/mol
Exact Mass247.97
IUPAC Name2-oxoethyl 2-methoxybutanoate;yttrium
SMILESCCC(OC)C(=O)OC[C-]=O.[Y]
InChIInChI=1S/C7H11O4.Y/c1-3-6(10-2)7(9)11-5-4-8;/h6H,3,5H2,1-2H3;/q-1;
InChIKeyPXLRFOATOXDMBV-UHFFFAOYSA-N
XLogP0.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxoethyl 2-methoxybutanoate;yttrium?
The IUPAC name of 2-oxoethyl 2-methoxybutanoate;yttrium (CID 58083925) is 2-oxoethyl 2-methoxybutanoate;yttrium.
What is the SMILES notation for 2-oxoethyl 2-methoxybutanoate;yttrium?
The canonical SMILES for 2-oxoethyl 2-methoxybutanoate;yttrium is CCC(OC)C(=O)OC[C-]=O.[Y].
What is the InChIKey of 2-oxoethyl 2-methoxybutanoate;yttrium?
The InChIKey is PXLRFOATOXDMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O4.Y/c1-3-6(10-2)7(9)11-5-4-8;/h6H,3,5H2,1-2H3;/q-1;.
What are the key properties of 2-oxoethyl 2-methoxybutanoate;yttrium?
2-oxoethyl 2-methoxybutanoate;yttrium has a molecular weight of 248.07 g/mol, XLogP of 0.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoethyl 2-methoxybutanoate;yttrium is sourced from PubChem (CID 58083925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).