ethyl acetate;1-methoxypropan-2-one;2-oxopropyl acetate;bis(yttrium)

C13H20O7Y2-4 — CID 58264582

IUPACethyl acetate;1-methoxypropan-2-one;2-oxopropyl acetate;bis(yttrium)
SMILES[CH2-]C(=O)COC.[CH2-]C(=O)COC([CH2-])=O.[CH2-]C(=O)OCC.[Y].[Y]
InChIInChI=1S/C5H6O3.2C4H7O2.2Y/c1-4(6)3-8-5(2)7;1-4(5)3-6-2;1-3-6-4(2)5;;/h1-3H2;1,3H2,2H3;2-3H2,1H3;;/q-2;2*-1;;
InChIKeyZQNQFIBLWSFHHV-UHFFFAOYSA-N
MW466.11 g/mol
LogP0.18
Rot. Bonds5

About ethyl acetate;1-methoxypropan-2-one;2-oxopropyl acetate;bis(yttrium)

ethyl acetate;1-methoxypropan-2-one;2-oxopropyl acetate;bis(yttrium) (PubChem CID 58264582) has the molecular formula C13H20O7Y2-4 and a molecular weight of 466.11 g/mol. Its IUPAC name is ethyl acetate;1-methoxypropan-2-one;2-oxopropyl acetate;bis(yttrium).

Molecular Properties

Compound Nameethyl acetate;1-methoxypropan-2-one;2-oxopropyl acetate;bis(yttrium)
PubChem CID58264582
Molecular FormulaC13H20O7Y2-4
Molecular Weight466.11 g/mol
Exact Mass465.93
IUPAC Nameethyl acetate;1-methoxypropan-2-one;2-oxopropyl acetate;bis(yttrium)
SMILES[CH2-]C(=O)COC.[CH2-]C(=O)COC([CH2-])=O.[CH2-]C(=O)OCC.[Y].[Y]
InChIInChI=1S/C5H6O3.2C4H7O2.2Y/c1-4(6)3-8-5(2)7;1-4(5)3-6-2;1-3-6-4(2)5;;/h1-3H2;1,3H2,2H3;2-3H2,1H3;;/q-2;2*-1;;
InChIKeyZQNQFIBLWSFHHV-UHFFFAOYSA-N
XLogP0.18
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.11
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl acetate;1-methoxypropan-2-one;2-oxopropyl acetate;bis(yttrium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;1-methoxypropan-2-one;2-oxopropyl acetate;bis(yttrium)?
The IUPAC name of ethyl acetate;1-methoxypropan-2-one;2-oxopropyl acetate;bis(yttrium) (CID 58264582) is ethyl acetate;1-methoxypropan-2-one;2-oxopropyl acetate;bis(yttrium).
What is the SMILES notation for ethyl acetate;1-methoxypropan-2-one;2-oxopropyl acetate;bis(yttrium)?
The canonical SMILES for ethyl acetate;1-methoxypropan-2-one;2-oxopropyl acetate;bis(yttrium) is [CH2-]C(=O)COC.[CH2-]C(=O)COC([CH2-])=O.[CH2-]C(=O)OCC.[Y].[Y].
What is the InChIKey of ethyl acetate;1-methoxypropan-2-one;2-oxopropyl acetate;bis(yttrium)?
The InChIKey is ZQNQFIBLWSFHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3.2C4H7O2.2Y/c1-4(6)3-8-5(2)7;1-4(5)3-6-2;1-3-6-4(2)5;;/h1-3H2;1,3H2,2H3;2-3H2,1H3;;/q-2;2*-1;;.
What are the key properties of ethyl acetate;1-methoxypropan-2-one;2-oxopropyl acetate;bis(yttrium)?
ethyl acetate;1-methoxypropan-2-one;2-oxopropyl acetate;bis(yttrium) has a molecular weight of 466.11 g/mol, XLogP of 0.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;1-methoxypropan-2-one;2-oxopropyl acetate;bis(yttrium) is sourced from PubChem (CID 58264582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).