2-methylprop-2-enal;yttrium

C4H5OY- — CID 58618945

IUPAC2-methylprop-2-enal;yttrium
SMILES[H]/[C-]=C(/C)C=O.[Y]
InChIInChI=1S/C4H5O.Y/c1-4(2)3-5;/h1,3H,2H3;/q-1;
InChIKeyPFRNYBNGYLXIQZ-UHFFFAOYSA-N
MW157.99 g/mol
LogP0.56
Rot. Bonds1

About 2-methylprop-2-enal;yttrium

2-methylprop-2-enal;yttrium (PubChem CID 58618945) has the molecular formula C4H5OY- and a molecular weight of 157.99 g/mol. Its IUPAC name is 2-methylprop-2-enal;yttrium.

Molecular Properties

Compound Name2-methylprop-2-enal;yttrium
PubChem CID58618945
Molecular FormulaC4H5OY-
Molecular Weight157.99 g/mol
Exact Mass157.94
IUPAC Name2-methylprop-2-enal;yttrium
SMILES[H]/[C-]=C(/C)C=O.[Y]
InChIInChI=1S/C4H5O.Y/c1-4(2)3-5;/h1,3H,2H3;/q-1;
InChIKeyPFRNYBNGYLXIQZ-UHFFFAOYSA-N
XLogP0.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.99
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enal;yttrium?
The IUPAC name of 2-methylprop-2-enal;yttrium (CID 58618945) is 2-methylprop-2-enal;yttrium.
What is the SMILES notation for 2-methylprop-2-enal;yttrium?
The canonical SMILES for 2-methylprop-2-enal;yttrium is [H]/[C-]=C(/C)C=O.[Y].
What is the InChIKey of 2-methylprop-2-enal;yttrium?
The InChIKey is PFRNYBNGYLXIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5O.Y/c1-4(2)3-5;/h1,3H,2H3;/q-1;.
What are the key properties of 2-methylprop-2-enal;yttrium?
2-methylprop-2-enal;yttrium has a molecular weight of 157.99 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enal;yttrium is sourced from PubChem (CID 58618945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).