sodium;dodecane;ethene;sulfuric acid

C14H31NaO4S — CID 158930988

IUPACsodium;dodecane;ethene;sulfuric acid
SMILESC=C.O=S(=O)(O)O.[CH2-]CCCCCCCCCCC.[Na+]
InChIInChI=1S/C12H25.C2H4.Na.H2O4S/c1-3-5-7-9-11-12-10-8-6-4-2;1-2;;1-5(2,3)4/h1,3-12H2,2H3;1-2H2;;(H2,1,2,3,4)/q-1;;+1;
InChIKeyCHNYZUDJYCLQST-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.89
Rot. Bonds9

About sodium;dodecane;ethene;sulfuric acid

sodium;dodecane;ethene;sulfuric acid (PubChem CID 158930988) has the molecular formula C14H31NaO4S and a molecular weight of 318.46 g/mol. Its IUPAC name is sodium;dodecane;ethene;sulfuric acid.

Molecular Properties

Compound Namesodium;dodecane;ethene;sulfuric acid
PubChem CID158930988
Molecular FormulaC14H31NaO4S
Molecular Weight318.46 g/mol
Exact Mass318.18
IUPAC Namesodium;dodecane;ethene;sulfuric acid
SMILESC=C.O=S(=O)(O)O.[CH2-]CCCCCCCCCCC.[Na+]
InChIInChI=1S/C12H25.C2H4.Na.H2O4S/c1-3-5-7-9-11-12-10-8-6-4-2;1-2;;1-5(2,3)4/h1,3-12H2,2H3;1-2H2;;(H2,1,2,3,4)/q-1;;+1;
InChIKeyCHNYZUDJYCLQST-UHFFFAOYSA-N
XLogP1.89
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.89
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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sodium;dodecane;3-prop-2-enoxyprop-1-ene;sulfuric acid
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sodium;dodecane;propane-1-sulfonic acid
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sodium;sulfuric acid;tetradecane
CID 170922474
sodium;azane;dodecane;1-dodecoxydodecane;sulfuric acid
CID 173144318
sodium;hydride;sulfuric acid;undecane
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lithium tridecane
CID 11321439
sodium tritriacontane
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CID 91872702
lithium heptadecane
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Frequently Asked Questions

What is the IUPAC name of sodium;dodecane;ethene;sulfuric acid?
The IUPAC name of sodium;dodecane;ethene;sulfuric acid (CID 158930988) is sodium;dodecane;ethene;sulfuric acid.
What is the SMILES notation for sodium;dodecane;ethene;sulfuric acid?
The canonical SMILES for sodium;dodecane;ethene;sulfuric acid is C=C.O=S(=O)(O)O.[CH2-]CCCCCCCCCCC.[Na+].
What is the InChIKey of sodium;dodecane;ethene;sulfuric acid?
The InChIKey is CHNYZUDJYCLQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25.C2H4.Na.H2O4S/c1-3-5-7-9-11-12-10-8-6-4-2;1-2;;1-5(2,3)4/h1,3-12H2,2H3;1-2H2;;(H2,1,2,3,4)/q-1;;+1;.
What are the key properties of sodium;dodecane;ethene;sulfuric acid?
sodium;dodecane;ethene;sulfuric acid has a molecular weight of 318.46 g/mol, XLogP of 1.89, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecane;ethene;sulfuric acid is sourced from PubChem (CID 158930988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).