sodium;dodecyl hydrogen sulfate;hydride

C48H105NaO16S4 — CID 173193135

IUPACsodium;dodecyl hydrogen sulfate;hydride
SMILESCCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCCCCCOS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/4C12H26O4S.Na.H/c4*1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;/h4*2-12H2,1H3,(H,13,14,15);;/q;;;;+1;-1
InChIKeyCAIMIRKWCRRNDH-UHFFFAOYSA-N
MW1089.61 g/mol
LogP12.02
Rot. Bonds48

About sodium;dodecyl hydrogen sulfate;hydride

sodium;dodecyl hydrogen sulfate;hydride (PubChem CID 173193135) has the molecular formula C48H105NaO16S4 and a molecular weight of 1089.61 g/mol. Its IUPAC name is sodium;dodecyl hydrogen sulfate;hydride.

Molecular Properties

Compound Namesodium;dodecyl hydrogen sulfate;hydride
PubChem CID173193135
Molecular FormulaC48H105NaO16S4
Molecular Weight1089.61 g/mol
Exact Mass1088.62
IUPAC Namesodium;dodecyl hydrogen sulfate;hydride
SMILESCCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCCCCCOS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/4C12H26O4S.Na.H/c4*1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;/h4*2-12H2,1H3,(H,13,14,15);;/q;;;;+1;-1
InChIKeyCAIMIRKWCRRNDH-UHFFFAOYSA-N
XLogP12.02
TPSA254.40 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds48
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001089.61
LogP ≤ 512.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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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Related Compounds

decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
Sodiumn-tridecylsulphate
CID 131877406
CID 87182380
CID 87182380
tridecyl hydrogen sulfate;hydrate
CID 88668618
alumane;octadecyl hydrogen sulfate
CID 175420064
magnesium icosyl hydrogen sulfate
CID 21125099
azanium decyl hydrogen sulfate
CID 21115891
CID 170845374
CID 170845374
butyl hydrogen sulfate;heptane
CID 175360663
sodium;azane;dodecyl hydrogen sulfate;ethoxyethane;hydride
CID 173357441
sodium;dodecyl hydrogen sulfate;hydride;hydrogen sulfite
CID 174853065
sodium;dodecyl hydrogen sulfate;tetradecyl sulfate
CID 88620234

Frequently Asked Questions

What is the IUPAC name of sodium;dodecyl hydrogen sulfate;hydride?
The IUPAC name of sodium;dodecyl hydrogen sulfate;hydride (CID 173193135) is sodium;dodecyl hydrogen sulfate;hydride.
What is the SMILES notation for sodium;dodecyl hydrogen sulfate;hydride?
The canonical SMILES for sodium;dodecyl hydrogen sulfate;hydride is CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCCCCCOS(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;dodecyl hydrogen sulfate;hydride?
The InChIKey is CAIMIRKWCRRNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H26O4S.Na.H/c4*1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;/h4*2-12H2,1H3,(H,13,14,15);;/q;;;;+1;-1.
What are the key properties of sodium;dodecyl hydrogen sulfate;hydride?
sodium;dodecyl hydrogen sulfate;hydride has a molecular weight of 1089.61 g/mol, XLogP of 12.02, 48 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecyl hydrogen sulfate;hydride is sourced from PubChem (CID 173193135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).