sodium decyl sulfate

C10H21NaO4S — CID 23665771

IUPACsodium decyl sulfate
SMILESCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C10H22O4S.Na/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+1/p-1
InChIKeyXZTJQQLJJCXOLP-UHFFFAOYSA-M
MW260.33 g/mol
LogP-0.39
Rot. Bonds10

About sodium decyl sulfate

sodium decyl sulfate (PubChem CID 23665771) has the molecular formula C10H21NaO4S and a molecular weight of 260.33 g/mol. Its IUPAC name is sodium decyl sulfate.

Molecular Properties

Compound Namesodium decyl sulfate
PubChem CID23665771
Molecular FormulaC10H21NaO4S
Molecular Weight260.33 g/mol
Exact Mass260.11
IUPAC Namesodium decyl sulfate
SMILESCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C10H22O4S.Na/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+1/p-1
InChIKeyXZTJQQLJJCXOLP-UHFFFAOYSA-M
XLogP-0.39
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 Lauryl Sulfate
CID 3423265
Ammonium Lauryl Sulfate
CID 16700
Sodium Myristyl Sulfate
CID 23665770
Sodium laureth sulfate
CID 23665884
Sodium Tridecyl Sulfate
CID 23668353
Lauryl sulfate
CID 8778
Cetyl sulfate sodium salt
CID 23695542
Sodium Stearyl Sulfate
CID 23673604
Sodium nonyl sulfate
CID 23677967
Sodium Octyl Sulfate
CID 2735107
Myristyl sulfate
CID 5248
Lithium dodecyl sulphate
CID 2735071

Frequently Asked Questions

What is the IUPAC name of sodium decyl sulfate?
The IUPAC name of sodium decyl sulfate (CID 23665771) is sodium decyl sulfate.
What is the SMILES notation for sodium decyl sulfate?
The canonical SMILES for sodium decyl sulfate is CCCCCCCCCCOS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium decyl sulfate?
The InChIKey is XZTJQQLJJCXOLP-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H22O4S.Na/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+1/p-1.
What are the key properties of sodium decyl sulfate?
sodium decyl sulfate has a molecular weight of 260.33 g/mol, XLogP of -0.39, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium decyl sulfate is sourced from PubChem (CID 23665771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).