sodium;decanoyl sulfate;ethoxyethane

C14H29NaO6S — CID 155316659

IUPACsodium;decanoyl sulfate;ethoxyethane
SMILESCCCCCCCCCC(=O)OS(=O)(=O)[O-].CCOCC.[Na+]
InChIInChI=1S/C10H20O5S.C4H10O.Na/c1-2-3-4-5-6-7-8-9-10(11)15-16(12,13)14;1-3-5-4-2;/h2-9H2,1H3,(H,12,13,14);3-4H2,1-2H3;/q;;+1/p-1
InChIKeyFLHFXZPDZVUGND-UHFFFAOYSA-M
MW348.44 g/mol
LogP0.18
Rot. Bonds11

About sodium;decanoyl sulfate;ethoxyethane

sodium;decanoyl sulfate;ethoxyethane (PubChem CID 155316659) has the molecular formula C14H29NaO6S and a molecular weight of 348.44 g/mol. Its IUPAC name is sodium;decanoyl sulfate;ethoxyethane.

Molecular Properties

Compound Namesodium;decanoyl sulfate;ethoxyethane
PubChem CID155316659
Molecular FormulaC14H29NaO6S
Molecular Weight348.44 g/mol
Exact Mass348.16
IUPAC Namesodium;decanoyl sulfate;ethoxyethane
SMILESCCCCCCCCCC(=O)OS(=O)(=O)[O-].CCOCC.[Na+]
InChIInChI=1S/C10H20O5S.C4H10O.Na/c1-2-3-4-5-6-7-8-9-10(11)15-16(12,13)14;1-3-5-4-2;/h2-9H2,1H3,(H,12,13,14);3-4H2,1-2H3;/q;;+1/p-1
InChIKeyFLHFXZPDZVUGND-UHFFFAOYSA-M
XLogP0.18
TPSA92.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

sodium hexadec-9-enoyl sulfate
CID 173151539
sodium;dodecanoyl sulfate;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 88653725
disodium;hexadecanoyl hexadecanoate;sulfate
CID 175257807
disodium bis((4-octadecan-9-yloxy-4-oxobutanoyl) sulfate)
CID 173413332
sodium 2-octadecanoyloxysulfonylethanolate
CID 130403945
sodium;ethoxyethane;hexyl sulfate
CID 88708735
calcium;hydride;sulfo octadecanoate
CID 173018133
sodium;2-[carbamimidoyl(methyl)amino]acetic acid;dodecanoyl sulfate
CID 175411971
ethoxymethyl heptanoate
CID 87360717
sodium 1-tridecanoyloxyethanesulfonate
CID 159250596
ethoxyethane;2-hydroxyethyl dodecanoate
CID 87130982
ethoxyethane;2-hydroxyethyl docosanoate
CID 121301688

Frequently Asked Questions

What is the IUPAC name of sodium;decanoyl sulfate;ethoxyethane?
The IUPAC name of sodium;decanoyl sulfate;ethoxyethane (CID 155316659) is sodium;decanoyl sulfate;ethoxyethane.
What is the SMILES notation for sodium;decanoyl sulfate;ethoxyethane?
The canonical SMILES for sodium;decanoyl sulfate;ethoxyethane is CCCCCCCCCC(=O)OS(=O)(=O)[O-].CCOCC.[Na+].
What is the InChIKey of sodium;decanoyl sulfate;ethoxyethane?
The InChIKey is FLHFXZPDZVUGND-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20O5S.C4H10O.Na/c1-2-3-4-5-6-7-8-9-10(11)15-16(12,13)14;1-3-5-4-2;/h2-9H2,1H3,(H,12,13,14);3-4H2,1-2H3;/q;;+1/p-1.
What are the key properties of sodium;decanoyl sulfate;ethoxyethane?
sodium;decanoyl sulfate;ethoxyethane has a molecular weight of 348.44 g/mol, XLogP of 0.18, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;decanoyl sulfate;ethoxyethane is sourced from PubChem (CID 155316659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).