sodium;dodecane;phenylphosphane;sulfuric acid

C18H34NaO4PS — CID 174628793

IUPACsodium;dodecane;phenylphosphane;sulfuric acid
SMILESO=S(=O)(O)O.Pc1ccccc1.[CH2-]CCCCCCCCCCC.[Na+]
InChIInChI=1S/C12H25.C6H7P.Na.H2O4S/c1-3-5-7-9-11-12-10-8-6-4-2;7-6-4-2-1-3-5-6;;1-5(2,3)4/h1,3-12H2,2H3;1-5H,7H2;;(H2,1,2,3,4)/q-1;;+1;
InChIKeySOMJCUUMXKZXNA-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.28
Rot. Bonds9

About sodium;dodecane;phenylphosphane;sulfuric acid

sodium;dodecane;phenylphosphane;sulfuric acid (PubChem CID 174628793) has the molecular formula C18H34NaO4PS and a molecular weight of 400.50 g/mol. Its IUPAC name is sodium;dodecane;phenylphosphane;sulfuric acid.

Molecular Properties

Compound Namesodium;dodecane;phenylphosphane;sulfuric acid
PubChem CID174628793
Molecular FormulaC18H34NaO4PS
Molecular Weight400.50 g/mol
Exact Mass400.18
IUPAC Namesodium;dodecane;phenylphosphane;sulfuric acid
SMILESO=S(=O)(O)O.Pc1ccccc1.[CH2-]CCCCCCCCCCC.[Na+]
InChIInChI=1S/C12H25.C6H7P.Na.H2O4S/c1-3-5-7-9-11-12-10-8-6-4-2;7-6-4-2-1-3-5-6;;1-5(2,3)4/h1,3-12H2,2H3;1-5H,7H2;;(H2,1,2,3,4)/q-1;;+1;
InChIKeySOMJCUUMXKZXNA-UHFFFAOYSA-N
XLogP2.28
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.28
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': 'phosphor', '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;dodecane;phenylphosphane;sulfuric acid?
The IUPAC name of sodium;dodecane;phenylphosphane;sulfuric acid (CID 174628793) is sodium;dodecane;phenylphosphane;sulfuric acid.
What is the SMILES notation for sodium;dodecane;phenylphosphane;sulfuric acid?
The canonical SMILES for sodium;dodecane;phenylphosphane;sulfuric acid is O=S(=O)(O)O.Pc1ccccc1.[CH2-]CCCCCCCCCCC.[Na+].
What is the InChIKey of sodium;dodecane;phenylphosphane;sulfuric acid?
The InChIKey is SOMJCUUMXKZXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25.C6H7P.Na.H2O4S/c1-3-5-7-9-11-12-10-8-6-4-2;7-6-4-2-1-3-5-6;;1-5(2,3)4/h1,3-12H2,2H3;1-5H,7H2;;(H2,1,2,3,4)/q-1;;+1;.
What are the key properties of sodium;dodecane;phenylphosphane;sulfuric acid?
sodium;dodecane;phenylphosphane;sulfuric acid has a molecular weight of 400.50 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecane;phenylphosphane;sulfuric acid is sourced from PubChem (CID 174628793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).