butane;sulfuric acid;zinc

C8H24O8S2Zn — CID 175431012

IUPACbutane;sulfuric acid;zinc
SMILESCCCC.CCCC.O=S(=O)(O)O.O=S(=O)(O)O.[Zn]
InChIInChI=1S/2C4H10.2H2O4S.Zn/c2*1-3-4-2;2*1-5(2,3)4;/h2*3-4H2,1-2H3;2*(H2,1,2,3,4);
InChIKeyZKMVGAOFDCXXHP-UHFFFAOYSA-N
MW377.80 g/mol
LogP2.30
Rot. Bonds2

About butane;sulfuric acid;zinc

butane;sulfuric acid;zinc (PubChem CID 175431012) has the molecular formula C8H24O8S2Zn and a molecular weight of 377.80 g/mol. Its IUPAC name is butane;sulfuric acid;zinc.

Molecular Properties

Compound Namebutane;sulfuric acid;zinc
PubChem CID175431012
Molecular FormulaC8H24O8S2Zn
Molecular Weight377.80 g/mol
Exact Mass376.02
IUPAC Namebutane;sulfuric acid;zinc
SMILESCCCC.CCCC.O=S(=O)(O)O.O=S(=O)(O)O.[Zn]
InChIInChI=1S/2C4H10.2H2O4S.Zn/c2*1-3-4-2;2*1-5(2,3)4;/h2*3-4H2,1-2H3;2*(H2,1,2,3,4);
InChIKeyZKMVGAOFDCXXHP-UHFFFAOYSA-N
XLogP2.30
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.80
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butane;sulfuric acid;zinc?
The IUPAC name of butane;sulfuric acid;zinc (CID 175431012) is butane;sulfuric acid;zinc.
What is the SMILES notation for butane;sulfuric acid;zinc?
The canonical SMILES for butane;sulfuric acid;zinc is CCCC.CCCC.O=S(=O)(O)O.O=S(=O)(O)O.[Zn].
What is the InChIKey of butane;sulfuric acid;zinc?
The InChIKey is ZKMVGAOFDCXXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10.2H2O4S.Zn/c2*1-3-4-2;2*1-5(2,3)4;/h2*3-4H2,1-2H3;2*(H2,1,2,3,4);.
What are the key properties of butane;sulfuric acid;zinc?
butane;sulfuric acid;zinc has a molecular weight of 377.80 g/mol, XLogP of 2.30, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;sulfuric acid;zinc is sourced from PubChem (CID 175431012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).