2-methylprop-2-en-1-one;yttrium(3+)

C4H5OY+2 — CID 18722147

IUPAC2-methylprop-2-en-1-one;yttrium(3+)
SMILESC=C(C)[C-]=O.[Y+3]
InChIInChI=1S/C4H5O.Y/c1-4(2)3-5;/h1H2,2H3;/q-1;+3
InChIKeyRJDWMHHYTJNVFK-UHFFFAOYSA-N
MW157.99 g/mol
LogP0.67
Rot. Bonds1

About 2-methylprop-2-en-1-one;yttrium(3+)

2-methylprop-2-en-1-one;yttrium(3+) (PubChem CID 18722147) has the molecular formula C4H5OY+2 and a molecular weight of 157.99 g/mol. Its IUPAC name is 2-methylprop-2-en-1-one;yttrium(3+).

Molecular Properties

Compound Name2-methylprop-2-en-1-one;yttrium(3+)
PubChem CID18722147
Molecular FormulaC4H5OY+2
Molecular Weight157.99 g/mol
Exact Mass157.94
IUPAC Name2-methylprop-2-en-1-one;yttrium(3+)
SMILESC=C(C)[C-]=O.[Y+3]
InChIInChI=1S/C4H5O.Y/c1-4(2)3-5;/h1H2,2H3;/q-1;+3
InChIKeyRJDWMHHYTJNVFK-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 13203447
CID 13203447
acetic acid;2-methylprop-1-ene
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ethane;tris(2-methylprop-1-ene)
CID 144520420
methane;tetrakis(2-methylprop-1-ene)
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2-methyl(113C)prop-2-enal
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CID 174274839
2,3-dimethylbuta-1,3-diene;ethane
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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-en-1-one;yttrium(3+)?
The IUPAC name of 2-methylprop-2-en-1-one;yttrium(3+) (CID 18722147) is 2-methylprop-2-en-1-one;yttrium(3+).
What is the SMILES notation for 2-methylprop-2-en-1-one;yttrium(3+)?
The canonical SMILES for 2-methylprop-2-en-1-one;yttrium(3+) is C=C(C)[C-]=O.[Y+3].
What is the InChIKey of 2-methylprop-2-en-1-one;yttrium(3+)?
The InChIKey is RJDWMHHYTJNVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5O.Y/c1-4(2)3-5;/h1H2,2H3;/q-1;+3.
What are the key properties of 2-methylprop-2-en-1-one;yttrium(3+)?
2-methylprop-2-en-1-one;yttrium(3+) has a molecular weight of 157.99 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-en-1-one;yttrium(3+) is sourced from PubChem (CID 18722147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).