2-methylbut-2-enoic acid;yttrium

C5H8O2Y — CID 76824008

IUPAC2-methylbut-2-enoic acid;yttrium
SMILESCC=C(C)C(=O)O.[Y]
InChIInChI=1S/C5H8O2.Y/c1-3-4(2)5(6)7;/h3H,1-2H3,(H,6,7);
InChIKeyOLUYEJUJPKJDMK-UHFFFAOYSA-N
MW189.02 g/mol
LogP1.03
Rot. Bonds1

About 2-methylbut-2-enoic acid;yttrium

2-methylbut-2-enoic acid;yttrium (PubChem CID 76824008) has the molecular formula C5H8O2Y and a molecular weight of 189.02 g/mol. Its IUPAC name is 2-methylbut-2-enoic acid;yttrium.

Molecular Properties

Compound Name2-methylbut-2-enoic acid;yttrium
PubChem CID76824008
Molecular FormulaC5H8O2Y
Molecular Weight189.02 g/mol
Exact Mass188.96
IUPAC Name2-methylbut-2-enoic acid;yttrium
SMILESCC=C(C)C(=O)O.[Y]
InChIInChI=1S/C5H8O2.Y/c1-3-4(2)5(6)7;/h3H,1-2H3,(H,6,7);
InChIKeyOLUYEJUJPKJDMK-UHFFFAOYSA-N
XLogP1.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.02
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methylbut-2-enoic acid;hydrochloride
CID 87583281
acetic acid;(E)-2-methylbut-2-enoic acid
CID 88739712
2-methylbut-2-enoic acid;silane
CID 173038853
dimethylazanide;methane;(Z)-2-methylbut-2-enoic acid;yttrium
CID 158291307
N,N-dimethylmethanamine;(E)-2-methylbut-2-enoic acid
CID 173038911
cyclodecane;methanol;2-methylbut-2-enoic acid
CID 174824435
tris(cyclodecane);methanol;2-methylbut-2-enoic acid
CID 174470242
2-methylbut-2-enoic acid;3-methylbut-2-enoic acid
CID 158806773
2-methylbut-2-enoic acid;pentane-1,5-diol
CID 174259555
2-methylbut-2-enoic acid;terephthalic acid
CID 161452509
2-methylbut-2-enoic acid;2-methylpropane-1,3-diol
CID 174817771
2-methylbut-2-enoic acid;propane-1,2,2-triol
CID 174678464

Frequently Asked Questions

What is the IUPAC name of 2-methylbut-2-enoic acid;yttrium?
The IUPAC name of 2-methylbut-2-enoic acid;yttrium (CID 76824008) is 2-methylbut-2-enoic acid;yttrium.
What is the SMILES notation for 2-methylbut-2-enoic acid;yttrium?
The canonical SMILES for 2-methylbut-2-enoic acid;yttrium is CC=C(C)C(=O)O.[Y].
What is the InChIKey of 2-methylbut-2-enoic acid;yttrium?
The InChIKey is OLUYEJUJPKJDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.Y/c1-3-4(2)5(6)7;/h3H,1-2H3,(H,6,7);.
What are the key properties of 2-methylbut-2-enoic acid;yttrium?
2-methylbut-2-enoic acid;yttrium has a molecular weight of 189.02 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbut-2-enoic acid;yttrium is sourced from PubChem (CID 76824008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).