sulfuric acid;tridecane

C13H30O4S — CID 91872702

IUPACsulfuric acid;tridecane
SMILESCCCCCCCCCCCCC.O=S(=O)(O)O
InChIInChI=1S/C13H28.H2O4S/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-5(2,3)4/h3-13H2,1-2H3;(H2,1,2,3,4)
InChIKeyRSSHTUXFCBWICH-UHFFFAOYSA-N
MW282.45 g/mol
LogP4.66
Rot. Bonds10

About sulfuric acid;tridecane

sulfuric acid;tridecane (PubChem CID 91872702) has the molecular formula C13H30O4S and a molecular weight of 282.45 g/mol. Its IUPAC name is sulfuric acid;tridecane.

Molecular Properties

Compound Namesulfuric acid;tridecane
PubChem CID91872702
Molecular FormulaC13H30O4S
Molecular Weight282.45 g/mol
Exact Mass282.19
IUPAC Namesulfuric acid;tridecane
SMILESCCCCCCCCCCCCC.O=S(=O)(O)O
InChIInChI=1S/C13H28.H2O4S/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-5(2,3)4/h3-13H2,1-2H3;(H2,1,2,3,4)
InChIKeyRSSHTUXFCBWICH-UHFFFAOYSA-N
XLogP4.66
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sulfuric acid;tridecane?
The IUPAC name of sulfuric acid;tridecane (CID 91872702) is sulfuric acid;tridecane.
What is the SMILES notation for sulfuric acid;tridecane?
The canonical SMILES for sulfuric acid;tridecane is CCCCCCCCCCCCC.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;tridecane?
The InChIKey is RSSHTUXFCBWICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28.H2O4S/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-5(2,3)4/h3-13H2,1-2H3;(H2,1,2,3,4).
What are the key properties of sulfuric acid;tridecane?
sulfuric acid;tridecane has a molecular weight of 282.45 g/mol, XLogP of 4.66, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;tridecane is sourced from PubChem (CID 91872702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).