bis(3-methylbutan-1-ol);sulfuric acid

C10H26O6S — CID 71441144

IUPACbis(3-methylbutan-1-ol);sulfuric acid
SMILESCC(C)CCO.CC(C)CCO.O=S(=O)(O)O
InChIInChI=1S/2C5H12O.H2O4S/c2*1-5(2)3-4-6;1-5(2,3)4/h2*5-6H,3-4H2,1-2H3;(H2,1,2,3,4)
InChIKeyTUVISLXIHOQKRQ-UHFFFAOYSA-N
MW274.38 g/mol
LogP1.40
Rot. Bonds4

About bis(3-methylbutan-1-ol);sulfuric acid

bis(3-methylbutan-1-ol);sulfuric acid (PubChem CID 71441144) has the molecular formula C10H26O6S and a molecular weight of 274.38 g/mol. Its IUPAC name is bis(3-methylbutan-1-ol);sulfuric acid.

Molecular Properties

Compound Namebis(3-methylbutan-1-ol);sulfuric acid
PubChem CID71441144
Molecular FormulaC10H26O6S
Molecular Weight274.38 g/mol
Exact Mass274.15
IUPAC Namebis(3-methylbutan-1-ol);sulfuric acid
SMILESCC(C)CCO.CC(C)CCO.O=S(=O)(O)O
InChIInChI=1S/2C5H12O.H2O4S/c2*1-5(2)3-4-6;1-5(2,3)4/h2*5-6H,3-4H2,1-2H3;(H2,1,2,3,4)
InChIKeyTUVISLXIHOQKRQ-UHFFFAOYSA-N
XLogP1.40
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

calcium;hydride;3-methylbutan-1-ol
CID 174734037
sodium;hydride;3-methylbutan-1-ol
CID 173128134
azane;6-methylheptan-1-ol;sulfuric acid
CID 174550383
chloroform;3-methylbutan-1-ol
CID 173101838
ethane;3-methylbutan-1-ol;propane
CID 163391548
formyl chloride;3-methylbutan-1-ol
CID 88598720
lithium;hydride;3-methylbutane-1-sulfonic acid
CID 174653708
2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
CID 87749078
sulfuric acid;tetramethylphosphanium
CID 87132357
acetonitrile;3-methylbutan-1-ol;hydrate
CID 87881666
chloro hypochlorite;bis(3-methylbutan-1-ol);vanadium
CID 88737111
acetonitrile;3-methylbutan-1-ol
CID 161349190

Frequently Asked Questions

What is the IUPAC name of bis(3-methylbutan-1-ol);sulfuric acid?
The IUPAC name of bis(3-methylbutan-1-ol);sulfuric acid (CID 71441144) is bis(3-methylbutan-1-ol);sulfuric acid.
What is the SMILES notation for bis(3-methylbutan-1-ol);sulfuric acid?
The canonical SMILES for bis(3-methylbutan-1-ol);sulfuric acid is CC(C)CCO.CC(C)CCO.O=S(=O)(O)O.
What is the InChIKey of bis(3-methylbutan-1-ol);sulfuric acid?
The InChIKey is TUVISLXIHOQKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H12O.H2O4S/c2*1-5(2)3-4-6;1-5(2,3)4/h2*5-6H,3-4H2,1-2H3;(H2,1,2,3,4).
What are the key properties of bis(3-methylbutan-1-ol);sulfuric acid?
bis(3-methylbutan-1-ol);sulfuric acid has a molecular weight of 274.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylbutan-1-ol);sulfuric acid is sourced from PubChem (CID 71441144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).