sodium;dodecyl dodecane-1-sulfonate;hydride

C24H51NaO3S — CID 173412945

IUPACsodium;dodecyl dodecane-1-sulfonate;hydride
SMILESCCCCCCCCCCCCOS(=O)(=O)CCCCCCCCCCCC.[H-].[Na+]
InChIInChI=1S/C24H50O3S.Na.H/c1-3-5-7-9-11-13-15-17-19-21-23-27-28(25,26)24-22-20-18-16-14-12-10-8-6-4-2;;/h3-24H2,1-2H3;;/q;+1;-1
InChIKeyMDTNAOKEYWKJIT-UHFFFAOYSA-N
MW442.73 g/mol
LogP5.29
Rot. Bonds23

About sodium;dodecyl dodecane-1-sulfonate;hydride

sodium;dodecyl dodecane-1-sulfonate;hydride (PubChem CID 173412945) has the molecular formula C24H51NaO3S and a molecular weight of 442.73 g/mol. Its IUPAC name is sodium;dodecyl dodecane-1-sulfonate;hydride.

Molecular Properties

Compound Namesodium;dodecyl dodecane-1-sulfonate;hydride
PubChem CID173412945
Molecular FormulaC24H51NaO3S
Molecular Weight442.73 g/mol
Exact Mass442.35
IUPAC Namesodium;dodecyl dodecane-1-sulfonate;hydride
SMILESCCCCCCCCCCCCOS(=O)(=O)CCCCCCCCCCCC.[H-].[Na+]
InChIInChI=1S/C24H50O3S.Na.H/c1-3-5-7-9-11-13-15-17-19-21-23-27-28(25,26)24-22-20-18-16-14-12-10-8-6-4-2;;/h3-24H2,1-2H3;;/q;+1;-1
InChIKeyMDTNAOKEYWKJIT-UHFFFAOYSA-N
XLogP5.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.73
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

lithium;docosyl dodecane-1-sulfonate;hydride
CID 175529583
magnesium;hydride;nonyl nonane-1-sulfonate
CID 174803071
tridecyl tridecane-1-sulfonate
CID 123645713
hexadecyl octane-1-sulfonate
CID 172859291
azane;henicosyl dodecane-1-sulfonate
CID 175159978
CID 87587825
CID 87587825
butyl pentane-1-sulfonate
CID 87956203
octyl propane-1-sulfonate
CID 19702367
henicosyl 12-fluorododecane-1-sulfonate
CID 175160167
tridecyl 12-fluorododecane-1-sulfonate
CID 175157147
azane;tetradecyl 9-fluorononane-1-sulfonate
CID 175528973
potassium;hydride;3-hydroxypropyl dodecane-1-sulfonate
CID 174767901

Frequently Asked Questions

What is the IUPAC name of sodium;dodecyl dodecane-1-sulfonate;hydride?
The IUPAC name of sodium;dodecyl dodecane-1-sulfonate;hydride (CID 173412945) is sodium;dodecyl dodecane-1-sulfonate;hydride.
What is the SMILES notation for sodium;dodecyl dodecane-1-sulfonate;hydride?
The canonical SMILES for sodium;dodecyl dodecane-1-sulfonate;hydride is CCCCCCCCCCCCOS(=O)(=O)CCCCCCCCCCCC.[H-].[Na+].
What is the InChIKey of sodium;dodecyl dodecane-1-sulfonate;hydride?
The InChIKey is MDTNAOKEYWKJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O3S.Na.H/c1-3-5-7-9-11-13-15-17-19-21-23-27-28(25,26)24-22-20-18-16-14-12-10-8-6-4-2;;/h3-24H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;dodecyl dodecane-1-sulfonate;hydride?
sodium;dodecyl dodecane-1-sulfonate;hydride has a molecular weight of 442.73 g/mol, XLogP of 5.29, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecyl dodecane-1-sulfonate;hydride is sourced from PubChem (CID 173412945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).