sodium;dodecyl hydrogen sulfate;hydride;hydrogen sulfite

C12H28NaO7S2- — CID 174853065

IUPACsodium;dodecyl hydrogen sulfate;hydride;hydrogen sulfite
SMILESCCCCCCCCCCCCOS(=O)(=O)O.O=S([O-])O.[H-].[Na+]
InChIInChI=1S/C12H26O4S.Na.H2O3S.H/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;1-4(2)3;/h2-12H2,1H3,(H,13,14,15);;(H2,1,2,3);/q;+1;;-1/p-1
InChIKeyOLJWDIGDVBJFSF-UHFFFAOYSA-M
MW371.47 g/mol
LogP0.18
Rot. Bonds12

About sodium;dodecyl hydrogen sulfate;hydride;hydrogen sulfite

sodium;dodecyl hydrogen sulfate;hydride;hydrogen sulfite (PubChem CID 174853065) has the molecular formula C12H28NaO7S2- and a molecular weight of 371.47 g/mol. Its IUPAC name is sodium;dodecyl hydrogen sulfate;hydride;hydrogen sulfite.

Molecular Properties

Compound Namesodium;dodecyl hydrogen sulfate;hydride;hydrogen sulfite
PubChem CID174853065
Molecular FormulaC12H28NaO7S2-
Molecular Weight371.47 g/mol
Exact Mass371.12
IUPAC Namesodium;dodecyl hydrogen sulfate;hydride;hydrogen sulfite
SMILESCCCCCCCCCCCCOS(=O)(=O)O.O=S([O-])O.[H-].[Na+]
InChIInChI=1S/C12H26O4S.Na.H2O3S.H/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;1-4(2)3;/h2-12H2,1H3,(H,13,14,15);;(H2,1,2,3);/q;+1;;-1/p-1
InChIKeyOLJWDIGDVBJFSF-UHFFFAOYSA-M
XLogP0.18
TPSA123.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium;dodecyl hydrogen sulfate;hydride
CID 173193135
decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
sodium;dodecyl sulfate;hydrogen sulfite
CID 174946505
CID 170845374
CID 170845374
azanium decyl hydrogen sulfate
CID 21115891
magnesium icosyl hydrogen sulfate
CID 21125099
alumane;octadecyl hydrogen sulfate
CID 175420064
Sodiumn-tridecylsulphate
CID 131877406
CID 87182380
CID 87182380
tridecyl hydrogen sulfate;hydrate
CID 88668618
sodium;dodecyl hydrogen sulfate;tetradecyl sulfate
CID 88620234
disodium;dodecyl hydrogen sulfate;dodecyl sulfate
CID 173417814

Frequently Asked Questions

What is the IUPAC name of sodium;dodecyl hydrogen sulfate;hydride;hydrogen sulfite?
The IUPAC name of sodium;dodecyl hydrogen sulfate;hydride;hydrogen sulfite (CID 174853065) is sodium;dodecyl hydrogen sulfate;hydride;hydrogen sulfite.
What is the SMILES notation for sodium;dodecyl hydrogen sulfate;hydride;hydrogen sulfite?
The canonical SMILES for sodium;dodecyl hydrogen sulfate;hydride;hydrogen sulfite is CCCCCCCCCCCCOS(=O)(=O)O.O=S([O-])O.[H-].[Na+].
What is the InChIKey of sodium;dodecyl hydrogen sulfate;hydride;hydrogen sulfite?
The InChIKey is OLJWDIGDVBJFSF-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H26O4S.Na.H2O3S.H/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;1-4(2)3;/h2-12H2,1H3,(H,13,14,15);;(H2,1,2,3);/q;+1;;-1/p-1.
What are the key properties of sodium;dodecyl hydrogen sulfate;hydride;hydrogen sulfite?
sodium;dodecyl hydrogen sulfate;hydride;hydrogen sulfite has a molecular weight of 371.47 g/mol, XLogP of 0.18, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecyl hydrogen sulfate;hydride;hydrogen sulfite is sourced from PubChem (CID 174853065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).