sodium;dodecyl sulfate;ethaneperoxoic acid

C14H29NaO7S — CID 175510391

IUPACsodium;dodecyl sulfate;ethaneperoxoic acid
SMILESCC(=O)OO.CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C12H26O4S.C2H4O3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-2(3)5-4;/h2-12H2,1H3,(H,13,14,15);4H,1H3;/q;;+1/p-1
InChIKeyOVJMTODTNHJOTE-UHFFFAOYSA-M
MW364.44 g/mol
LogP0.41
Rot. Bonds12

About sodium;dodecyl sulfate;ethaneperoxoic acid

sodium;dodecyl sulfate;ethaneperoxoic acid (PubChem CID 175510391) has the molecular formula C14H29NaO7S and a molecular weight of 364.44 g/mol. Its IUPAC name is sodium;dodecyl sulfate;ethaneperoxoic acid.

Molecular Properties

Compound Namesodium;dodecyl sulfate;ethaneperoxoic acid
PubChem CID175510391
Molecular FormulaC14H29NaO7S
Molecular Weight364.44 g/mol
Exact Mass364.15
IUPAC Namesodium;dodecyl sulfate;ethaneperoxoic acid
SMILESCC(=O)OO.CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C12H26O4S.C2H4O3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-2(3)5-4;/h2-12H2,1H3,(H,13,14,15);4H,1H3;/q;;+1/p-1
InChIKeyOVJMTODTNHJOTE-UHFFFAOYSA-M
XLogP0.41
TPSA112.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

sodium tetradecyl sulfate
CID 23665770
sodium heptacosyl sulfate
CID 155090064
sodium hexyl sulfate
CID 23678858
disodium bis(hexadecyl sulfate)
CID 10394875
sodium pentadecyl sulfate
CID 23700089
disodium;acetic acid;dodecyl sulfate;acetate
CID 172806476
sodium;sulfuric acid;tetradecyl sulfate
CID 87772875
azanium;ethanol;tetradecyl sulfate
CID 158184471
azanium;ethanol;octadecyl sulfate
CID 157483069
aluminum;sodium;dodecyl sulfate
CID 160751560
sodium;dodecyl sulfate;bis(oxygen(2-));titanium(4+)
CID 162039562
potassium decyl sulfate
CID 23673657

Frequently Asked Questions

What is the IUPAC name of sodium;dodecyl sulfate;ethaneperoxoic acid?
The IUPAC name of sodium;dodecyl sulfate;ethaneperoxoic acid (CID 175510391) is sodium;dodecyl sulfate;ethaneperoxoic acid.
What is the SMILES notation for sodium;dodecyl sulfate;ethaneperoxoic acid?
The canonical SMILES for sodium;dodecyl sulfate;ethaneperoxoic acid is CC(=O)OO.CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium;dodecyl sulfate;ethaneperoxoic acid?
The InChIKey is OVJMTODTNHJOTE-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H26O4S.C2H4O3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-2(3)5-4;/h2-12H2,1H3,(H,13,14,15);4H,1H3;/q;;+1/p-1.
What are the key properties of sodium;dodecyl sulfate;ethaneperoxoic acid?
sodium;dodecyl sulfate;ethaneperoxoic acid has a molecular weight of 364.44 g/mol, XLogP of 0.41, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecyl sulfate;ethaneperoxoic acid is sourced from PubChem (CID 175510391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).