sodium hexadecyl sulfate

C16H33NaO4S — CID 23695542

IUPACsodium hexadecyl sulfate
SMILESCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C16H34O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1
InChIKeyGGHPAKFFUZUEKL-UHFFFAOYSA-M
MW344.49 g/mol
LogP1.95
Rot. Bonds16

About sodium hexadecyl sulfate

sodium hexadecyl sulfate (PubChem CID 23695542) has the molecular formula C16H33NaO4S and a molecular weight of 344.49 g/mol. Its IUPAC name is sodium hexadecyl sulfate.

Molecular Properties

Compound Namesodium hexadecyl sulfate
PubChem CID23695542
Molecular FormulaC16H33NaO4S
Molecular Weight344.49 g/mol
Exact Mass344.20
IUPAC Namesodium hexadecyl sulfate
SMILESCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C16H34O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1
InChIKeyGGHPAKFFUZUEKL-UHFFFAOYSA-M
XLogP1.95
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 51.95
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 Tridecyl Sulfate
CID 23668353
Lauryl sulfate
CID 8778
Sodium Decyl Sulfate
CID 23665771
Sodium Stearyl Sulfate
CID 23673604
Sodium nonyl sulfate
CID 23677967
Sodium Octyl Sulfate
CID 2735107
Sodium Laureth-3 Sulfate
CID 23674622
Myristyl sulfate
CID 5248
Diethylene glycol monolauryl ether sodium sulfate
CID 23682204

Frequently Asked Questions

What is the IUPAC name of sodium hexadecyl sulfate?
The IUPAC name of sodium hexadecyl sulfate (CID 23695542) is sodium hexadecyl sulfate.
What is the SMILES notation for sodium hexadecyl sulfate?
The canonical SMILES for sodium hexadecyl sulfate is CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium hexadecyl sulfate?
The InChIKey is GGHPAKFFUZUEKL-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H34O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1.
What are the key properties of sodium hexadecyl sulfate?
sodium hexadecyl sulfate has a molecular weight of 344.49 g/mol, XLogP of 1.95, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium hexadecyl sulfate is sourced from PubChem (CID 23695542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).