2-methylbutane-1-sulfonic acid;yttrium

C5H12O3SY — CID 59092791

IUPAC2-methylbutane-1-sulfonic acid;yttrium
SMILESCCC(C)CS(=O)(=O)O.[Y]
InChIInChI=1S/C5H12O3S.Y/c1-3-5(2)4-9(6,7)8;/h5H,3-4H2,1-2H3,(H,6,7,8);
InChIKeyCGCDOLSDSVRDST-UHFFFAOYSA-N
MW241.12 g/mol
LogP0.92
Rot. Bonds3

About 2-methylbutane-1-sulfonic acid;yttrium

2-methylbutane-1-sulfonic acid;yttrium (PubChem CID 59092791) has the molecular formula C5H12O3SY and a molecular weight of 241.12 g/mol. Its IUPAC name is 2-methylbutane-1-sulfonic acid;yttrium.

Molecular Properties

Compound Name2-methylbutane-1-sulfonic acid;yttrium
PubChem CID59092791
Molecular FormulaC5H12O3SY
Molecular Weight241.12 g/mol
Exact Mass240.96
IUPAC Name2-methylbutane-1-sulfonic acid;yttrium
SMILESCCC(C)CS(=O)(=O)O.[Y]
InChIInChI=1S/C5H12O3S.Y/c1-3-5(2)4-9(6,7)8;/h5H,3-4H2,1-2H3,(H,6,7,8);
InChIKeyCGCDOLSDSVRDST-UHFFFAOYSA-N
XLogP0.92
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(2-methylbutylsulfonyl)butane
CID 57266964
3-bromo-2-methylpropane-1-sulfonic acid
CID 173458122
2-ethylpropane-1,3-disulfonic acid
CID 58983775
butane-2-sulfonic acid;2-methylbutane-1-sulfonic acid;4-methylhexane-1-sulfonic acid;3-methylpentane-1-sulfonic acid
CID 158385667
2-methylbutane-1,4-disulfonic acid
CID 23460781
sodium 2-methyl-3-sulfopropan-1-olate
CID 141285329
(2S)-2-methylpentadecane-1-sulfonic acid
CID 121405460
3-methoxy-2-methylpropane-1-sulfonic acid
CID 118939015
2-(dihydroxyamino)butane-1-sulfonic acid
CID 139659602
4-amino-2-methylpentane-1-sulfonic acid
CID 89285888
2-methyl-N-methylsulfonylbutane-1-sulfonamide
CID 158232370
sulfuric acid;triethyl(methyl)phosphanium
CID 174902291

Frequently Asked Questions

What is the IUPAC name of 2-methylbutane-1-sulfonic acid;yttrium?
The IUPAC name of 2-methylbutane-1-sulfonic acid;yttrium (CID 59092791) is 2-methylbutane-1-sulfonic acid;yttrium.
What is the SMILES notation for 2-methylbutane-1-sulfonic acid;yttrium?
The canonical SMILES for 2-methylbutane-1-sulfonic acid;yttrium is CCC(C)CS(=O)(=O)O.[Y].
What is the InChIKey of 2-methylbutane-1-sulfonic acid;yttrium?
The InChIKey is CGCDOLSDSVRDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3S.Y/c1-3-5(2)4-9(6,7)8;/h5H,3-4H2,1-2H3,(H,6,7,8);.
What are the key properties of 2-methylbutane-1-sulfonic acid;yttrium?
2-methylbutane-1-sulfonic acid;yttrium has a molecular weight of 241.12 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane-1-sulfonic acid;yttrium is sourced from PubChem (CID 59092791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).