2-methylprop-2-ene-1-sulfonic acid;yttrium

C4H8O3SY — CID 20670845

IUPAC2-methylprop-2-ene-1-sulfonic acid;yttrium
SMILESC=C(C)CS(=O)(=O)O.[Y]
InChIInChI=1S/C4H8O3S.Y/c1-4(2)3-8(5,6)7;/h1,3H2,2H3,(H,5,6,7);
InChIKeyGMMVCMQHGXTYPJ-UHFFFAOYSA-N
MW225.08 g/mol
LogP0.45
Rot. Bonds2

About 2-methylprop-2-ene-1-sulfonic acid;yttrium

2-methylprop-2-ene-1-sulfonic acid;yttrium (PubChem CID 20670845) has the molecular formula C4H8O3SY and a molecular weight of 225.08 g/mol. Its IUPAC name is 2-methylprop-2-ene-1-sulfonic acid;yttrium.

Molecular Properties

Compound Name2-methylprop-2-ene-1-sulfonic acid;yttrium
PubChem CID20670845
Molecular FormulaC4H8O3SY
Molecular Weight225.08 g/mol
Exact Mass224.93
IUPAC Name2-methylprop-2-ene-1-sulfonic acid;yttrium
SMILESC=C(C)CS(=O)(=O)O.[Y]
InChIInChI=1S/C4H8O3S.Y/c1-4(2)3-8(5,6)7;/h1,3H2,2H3,(H,5,6,7);
InChIKeyGMMVCMQHGXTYPJ-UHFFFAOYSA-N
XLogP0.45
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.08
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

magnesium;hydride;2-methylprop-2-ene-1-sulfonic acid
CID 174879880
calcium;hydride;2-methylprop-2-ene-1-sulfonic acid
CID 174879873
N,N-diethylethanamine;2-methylprop-2-ene-1-sulfonic acid
CID 174514420
2-methylprop-2-ene-1-sulfonic acid;pyridine
CID 87942262
1-methylimidazole;2-methylprop-2-ene-1-sulfonic acid
CID 173379549
prop-2-ene-1,2-disulfonic acid
CID 87689860
sodium 2-methylprop-2-ene-1-sulfonate
CID 23663624
2-methoxyprop-2-ene-1-sulfonic acid
CID 175208097
2-bromoprop-2-ene-1-sulfonic acid
CID 175061384
2-fluoroprop-2-ene-1-sulfonic acid
CID 87155261
2-methylidenepentane-1-sulfonic acid
CID 88537224
2,3-dioxobutane-1-sulfonic acid
CID 175261536

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-ene-1-sulfonic acid;yttrium?
The IUPAC name of 2-methylprop-2-ene-1-sulfonic acid;yttrium (CID 20670845) is 2-methylprop-2-ene-1-sulfonic acid;yttrium.
What is the SMILES notation for 2-methylprop-2-ene-1-sulfonic acid;yttrium?
The canonical SMILES for 2-methylprop-2-ene-1-sulfonic acid;yttrium is C=C(C)CS(=O)(=O)O.[Y].
What is the InChIKey of 2-methylprop-2-ene-1-sulfonic acid;yttrium?
The InChIKey is GMMVCMQHGXTYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3S.Y/c1-4(2)3-8(5,6)7;/h1,3H2,2H3,(H,5,6,7);.
What are the key properties of 2-methylprop-2-ene-1-sulfonic acid;yttrium?
2-methylprop-2-ene-1-sulfonic acid;yttrium has a molecular weight of 225.08 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-ene-1-sulfonic acid;yttrium is sourced from PubChem (CID 20670845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).