potassium;hexadecane;sulfuric acid

C16H35KO4S — CID 159048192

IUPACpotassium;hexadecane;sulfuric acid
SMILESO=S(=O)(O)O.[CH2-]CCCCCCCCCCCCCCC.[K+]
InChIInChI=1S/C16H33.K.H2O4S/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;;1-5(2,3)4/h1,3-16H2,2H3;;(H2,1,2,3,4)/q-1;+1;
InChIKeyXGFPTHSONUYDBM-UHFFFAOYSA-N
MW362.62 g/mol
LogP2.65
Rot. Bonds13

About potassium;hexadecane;sulfuric acid

potassium;hexadecane;sulfuric acid (PubChem CID 159048192) has the molecular formula C16H35KO4S and a molecular weight of 362.62 g/mol. Its IUPAC name is potassium;hexadecane;sulfuric acid.

Molecular Properties

Compound Namepotassium;hexadecane;sulfuric acid
PubChem CID159048192
Molecular FormulaC16H35KO4S
Molecular Weight362.62 g/mol
Exact Mass362.19
IUPAC Namepotassium;hexadecane;sulfuric acid
SMILESO=S(=O)(O)O.[CH2-]CCCCCCCCCCCCCCC.[K+]
InChIInChI=1S/C16H33.K.H2O4S/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;;1-5(2,3)4/h1,3-16H2,2H3;;(H2,1,2,3,4)/q-1;+1;
InChIKeyXGFPTHSONUYDBM-UHFFFAOYSA-N
XLogP2.65
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.62
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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lithium heptadecane
CID 12950399
sulfuric acid;tridecane
CID 91872702
lithium tridecane
CID 11321439
sodium;dodecane;propane-1-sulfonic acid
CID 175857379
sodium;azane;dodecane;1-dodecoxydodecane;sulfuric acid
CID 173144318
sodium;sulfuric acid;tetradecane
CID 170922474
lithium;copper(1+);bis(decane)
CID 10937095
heptadecane
CID 156905849
sodium;dodecane;2-hydroxyethanesulfonic acid
CID 174297331
sodium;dodecane;3-prop-2-enoxyprop-1-ene;sulfuric acid
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Frequently Asked Questions

What is the IUPAC name of potassium;hexadecane;sulfuric acid?
The IUPAC name of potassium;hexadecane;sulfuric acid (CID 159048192) is potassium;hexadecane;sulfuric acid.
What is the SMILES notation for potassium;hexadecane;sulfuric acid?
The canonical SMILES for potassium;hexadecane;sulfuric acid is O=S(=O)(O)O.[CH2-]CCCCCCCCCCCCCCC.[K+].
What is the InChIKey of potassium;hexadecane;sulfuric acid?
The InChIKey is XGFPTHSONUYDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33.K.H2O4S/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;;1-5(2,3)4/h1,3-16H2,2H3;;(H2,1,2,3,4)/q-1;+1;.
What are the key properties of potassium;hexadecane;sulfuric acid?
potassium;hexadecane;sulfuric acid has a molecular weight of 362.62 g/mol, XLogP of 2.65, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hexadecane;sulfuric acid is sourced from PubChem (CID 159048192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).