propan-2-yl hydrogen sulfate;zirconium

C3H8O4SZr — CID 175368295

IUPACpropan-2-yl hydrogen sulfate;zirconium
SMILESCC(C)OS(=O)(=O)O.[Zr]
InChIInChI=1S/C3H8O4S.Zr/c1-3(2)7-8(4,5)6;/h3H,1-2H3,(H,4,5,6);
InChIKeyIEBDMIWIVOPKOM-UHFFFAOYSA-N
MW231.38 g/mol
LogP0.21
Rot. Bonds2

About propan-2-yl hydrogen sulfate;zirconium

propan-2-yl hydrogen sulfate;zirconium (PubChem CID 175368295) has the molecular formula C3H8O4SZr and a molecular weight of 231.38 g/mol. Its IUPAC name is propan-2-yl hydrogen sulfate;zirconium.

Molecular Properties

Compound Namepropan-2-yl hydrogen sulfate;zirconium
PubChem CID175368295
Molecular FormulaC3H8O4SZr
Molecular Weight231.38 g/mol
Exact Mass229.92
IUPAC Namepropan-2-yl hydrogen sulfate;zirconium
SMILESCC(C)OS(=O)(=O)O.[Zr]
InChIInChI=1S/C3H8O4S.Zr/c1-3(2)7-8(4,5)6;/h3H,1-2H3,(H,4,5,6);
InChIKeyIEBDMIWIVOPKOM-UHFFFAOYSA-N
XLogP0.21
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

guanidine;propan-2-yl hydrogen sulfate
CID 175078270
propan-2-yl hydrogen sulfate;triethyl(methyl)azanium
CID 174759318
3-methylbutan-2-yl hydrogen sulfate
CID 87155723
dipropan-2-yl sulfate
CID 18096
1,2,2-trisulfooxyethyl hydrogen sulfate
CID 118687560
azanium propan-2-yl sulfate
CID 87164881
[(1S)-1-cyclohexylethyl] hydrogen sulfate
CID 101191225
propan-2-yloxysulfonylmethanesulfonic acid
CID 151617954
[hydroxy(methoxy)methyl] hydrogen sulfate
CID 88715714
sulfuric acid;tetramethylphosphanium
CID 87132357
[(2S)-5-methylhexan-2-yl] hydrogen sulfate
CID 89320849
pentan-2-yl hydrogen sulfate
CID 23335662

Frequently Asked Questions

What is the IUPAC name of propan-2-yl hydrogen sulfate;zirconium?
The IUPAC name of propan-2-yl hydrogen sulfate;zirconium (CID 175368295) is propan-2-yl hydrogen sulfate;zirconium.
What is the SMILES notation for propan-2-yl hydrogen sulfate;zirconium?
The canonical SMILES for propan-2-yl hydrogen sulfate;zirconium is CC(C)OS(=O)(=O)O.[Zr].
What is the InChIKey of propan-2-yl hydrogen sulfate;zirconium?
The InChIKey is IEBDMIWIVOPKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O4S.Zr/c1-3(2)7-8(4,5)6;/h3H,1-2H3,(H,4,5,6);.
What are the key properties of propan-2-yl hydrogen sulfate;zirconium?
propan-2-yl hydrogen sulfate;zirconium has a molecular weight of 231.38 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl hydrogen sulfate;zirconium is sourced from PubChem (CID 175368295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).