sodium;sulfuric acid;tetradecane

C14H32NaO4S+ — CID 170922474

IUPACsodium;sulfuric acid;tetradecane
SMILESCCCCCCCCCCCCCC.O=S(=O)(O)O.[Na+]
InChIInChI=1S/C14H30.Na.H2O4S/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;;1-5(2,3)4/h3-14H2,1-2H3;;(H2,1,2,3,4)/q;+1;
InChIKeyIIFJFIJGHITMKH-UHFFFAOYSA-N
MW319.46 g/mol
LogP2.06
Rot. Bonds11

About sodium;sulfuric acid;tetradecane

sodium;sulfuric acid;tetradecane (PubChem CID 170922474) has the molecular formula C14H32NaO4S+ and a molecular weight of 319.46 g/mol. Its IUPAC name is sodium;sulfuric acid;tetradecane.

Molecular Properties

Compound Namesodium;sulfuric acid;tetradecane
PubChem CID170922474
Molecular FormulaC14H32NaO4S+
Molecular Weight319.46 g/mol
Exact Mass319.19
IUPAC Namesodium;sulfuric acid;tetradecane
SMILESCCCCCCCCCCCCCC.O=S(=O)(O)O.[Na+]
InChIInChI=1S/C14H30.Na.H2O4S/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;;1-5(2,3)4/h3-14H2,1-2H3;;(H2,1,2,3,4)/q;+1;
InChIKeyIIFJFIJGHITMKH-UHFFFAOYSA-N
XLogP2.06
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 52.06
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 sodium;sulfuric acid;tetradecane?
The IUPAC name of sodium;sulfuric acid;tetradecane (CID 170922474) is sodium;sulfuric acid;tetradecane.
What is the SMILES notation for sodium;sulfuric acid;tetradecane?
The canonical SMILES for sodium;sulfuric acid;tetradecane is CCCCCCCCCCCCCC.O=S(=O)(O)O.[Na+].
What is the InChIKey of sodium;sulfuric acid;tetradecane?
The InChIKey is IIFJFIJGHITMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30.Na.H2O4S/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;;1-5(2,3)4/h3-14H2,1-2H3;;(H2,1,2,3,4)/q;+1;.
What are the key properties of sodium;sulfuric acid;tetradecane?
sodium;sulfuric acid;tetradecane has a molecular weight of 319.46 g/mol, XLogP of 2.06, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;sulfuric acid;tetradecane is sourced from PubChem (CID 170922474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).