2-methylidenebutane-1,3-dione;bis(yttrium)

C5H5O2Y2- — CID 59648874

IUPAC2-methylidenebutane-1,3-dione;bis(yttrium)
SMILESC=C([C-]=O)C(C)=O.[Y].[Y]
InChIInChI=1S/C5H5O2.2Y/c1-4(3-6)5(2)7;;/h1H2,2H3;;/q-1;;
InChIKeyDGZLOQYNTDCXQG-UHFFFAOYSA-N
MW274.91 g/mol
LogP0.24
Rot. Bonds2

About 2-methylidenebutane-1,3-dione;bis(yttrium)

2-methylidenebutane-1,3-dione;bis(yttrium) (PubChem CID 59648874) has the molecular formula C5H5O2Y2- and a molecular weight of 274.91 g/mol. Its IUPAC name is 2-methylidenebutane-1,3-dione;bis(yttrium).

Molecular Properties

Compound Name2-methylidenebutane-1,3-dione;bis(yttrium)
PubChem CID59648874
Molecular FormulaC5H5O2Y2-
Molecular Weight274.91 g/mol
Exact Mass274.84
IUPAC Name2-methylidenebutane-1,3-dione;bis(yttrium)
SMILESC=C([C-]=O)C(C)=O.[Y].[Y]
InChIInChI=1S/C5H5O2.2Y/c1-4(3-6)5(2)7;;/h1H2,2H3;;/q-1;;
InChIKeyDGZLOQYNTDCXQG-UHFFFAOYSA-N
XLogP0.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.91
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-2-en-1-one;yttrium(3+)
CID 18722147
2-methylprop-2-en-1-one;tantalum
CID 87346004
carbanide;3-methylidenepentane-1,4-dione;tungsten(2+);yttrium
CID 91867737
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
3-fluorobut-3-en-2-one
CID 158766969
3-oxoprop-1-en-2-ylazanide;bis(yttrium)
CID 154662182
acetic acid;2-methylprop-1-ene
CID 139328555
calcium;2-methylprop-2-enoate;chloride
CID 174912380
chromium(3+);2-methylprop-2-enoate;chloride
CID 19738661
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
acetic acid;tris(yttrium)
CID 59994727
butane-2,3-dione;silyloxysilane
CID 173372168

Frequently Asked Questions

What is the IUPAC name of 2-methylidenebutane-1,3-dione;bis(yttrium)?
The IUPAC name of 2-methylidenebutane-1,3-dione;bis(yttrium) (CID 59648874) is 2-methylidenebutane-1,3-dione;bis(yttrium).
What is the SMILES notation for 2-methylidenebutane-1,3-dione;bis(yttrium)?
The canonical SMILES for 2-methylidenebutane-1,3-dione;bis(yttrium) is C=C([C-]=O)C(C)=O.[Y].[Y].
What is the InChIKey of 2-methylidenebutane-1,3-dione;bis(yttrium)?
The InChIKey is DGZLOQYNTDCXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5O2.2Y/c1-4(3-6)5(2)7;;/h1H2,2H3;;/q-1;;.
What are the key properties of 2-methylidenebutane-1,3-dione;bis(yttrium)?
2-methylidenebutane-1,3-dione;bis(yttrium) has a molecular weight of 274.91 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenebutane-1,3-dione;bis(yttrium) is sourced from PubChem (CID 59648874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).