sodium;azane;dodecyl hydrogen sulfate;ethoxyethane;hydride

C16H40NNaO5S — CID 173357441

IUPACsodium;azane;dodecyl hydrogen sulfate;ethoxyethane;hydride
SMILESCCCCCCCCCCCCOS(=O)(=O)O.CCOCC.N.[H-].[Na+]
InChIInChI=1S/C12H26O4S.C4H10O.H3N.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-3-5-4-2;;;/h2-12H2,1H3,(H,13,14,15);3-4H2,1-2H3;1H3;;/q;;;+1;-1
InChIKeyIWHNTDDTJXSDHW-UHFFFAOYSA-N
MW381.56 g/mol
LogP2.05
Rot. Bonds14

About sodium;azane;dodecyl hydrogen sulfate;ethoxyethane;hydride

sodium;azane;dodecyl hydrogen sulfate;ethoxyethane;hydride (PubChem CID 173357441) has the molecular formula C16H40NNaO5S and a molecular weight of 381.56 g/mol. Its IUPAC name is sodium;azane;dodecyl hydrogen sulfate;ethoxyethane;hydride.

Molecular Properties

Compound Namesodium;azane;dodecyl hydrogen sulfate;ethoxyethane;hydride
PubChem CID173357441
Molecular FormulaC16H40NNaO5S
Molecular Weight381.56 g/mol
Exact Mass381.25
IUPAC Namesodium;azane;dodecyl hydrogen sulfate;ethoxyethane;hydride
SMILESCCCCCCCCCCCCOS(=O)(=O)O.CCOCC.N.[H-].[Na+]
InChIInChI=1S/C12H26O4S.C4H10O.H3N.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-3-5-4-2;;;/h2-12H2,1H3,(H,13,14,15);3-4H2,1-2H3;1H3;;/q;;;+1;-1
InChIKeyIWHNTDDTJXSDHW-UHFFFAOYSA-N
XLogP2.05
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

sodium;dodecyl hydrogen sulfate;hydride
CID 173193135
dodecyl hydrogen sulfate;ethane-1,2-diol;ethoxyethane
CID 88692322
butyl hydrogen sulfate;ethoxyethane
CID 89261917
decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
ethane-1,2-diol;ethene;ethoxyethane;nonyl hydrogen sulfate
CID 173151121
ethane-1,2-diol;ethene;ethoxyethane;hexyl hydrogen sulfate
CID 173151171
ethane-1,2-diol;ethene;ethoxyethane;nonyl hydrogen sulfate
CID 173151116
ethoxyethane;hexyl hydrogen sulfate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 87749418
CID 87182380
CID 87182380
Sodiumn-tridecylsulphate
CID 131877406
alumane;octadecyl hydrogen sulfate
CID 175420064
magnesium icosyl hydrogen sulfate
CID 21125099

Frequently Asked Questions

What is the IUPAC name of sodium;azane;dodecyl hydrogen sulfate;ethoxyethane;hydride?
The IUPAC name of sodium;azane;dodecyl hydrogen sulfate;ethoxyethane;hydride (CID 173357441) is sodium;azane;dodecyl hydrogen sulfate;ethoxyethane;hydride.
What is the SMILES notation for sodium;azane;dodecyl hydrogen sulfate;ethoxyethane;hydride?
The canonical SMILES for sodium;azane;dodecyl hydrogen sulfate;ethoxyethane;hydride is CCCCCCCCCCCCOS(=O)(=O)O.CCOCC.N.[H-].[Na+].
What is the InChIKey of sodium;azane;dodecyl hydrogen sulfate;ethoxyethane;hydride?
The InChIKey is IWHNTDDTJXSDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4S.C4H10O.H3N.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-3-5-4-2;;;/h2-12H2,1H3,(H,13,14,15);3-4H2,1-2H3;1H3;;/q;;;+1;-1.
What are the key properties of sodium;azane;dodecyl hydrogen sulfate;ethoxyethane;hydride?
sodium;azane;dodecyl hydrogen sulfate;ethoxyethane;hydride has a molecular weight of 381.56 g/mol, XLogP of 2.05, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azane;dodecyl hydrogen sulfate;ethoxyethane;hydride is sourced from PubChem (CID 173357441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).