sodium tetradecyl sulfate

C14H29NaO4S — CID 23665770

IUPACsodium tetradecyl sulfate
SMILESCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C14H30O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H,15,16,17);/q;+1/p-1
InChIKeyUPUIQOIQVMNQAP-UHFFFAOYSA-M
MW316.44 g/mol
LogP1.17
Rot. Bonds14

About sodium tetradecyl sulfate

sodium tetradecyl sulfate (PubChem CID 23665770) has the molecular formula C14H29NaO4S and a molecular weight of 316.44 g/mol. Its IUPAC name is sodium tetradecyl sulfate.

Molecular Properties

Compound Namesodium tetradecyl sulfate
PubChem CID23665770
Molecular FormulaC14H29NaO4S
Molecular Weight316.44 g/mol
Exact Mass316.17
IUPAC Namesodium tetradecyl sulfate
SMILESCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C14H30O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H,15,16,17);/q;+1/p-1
InChIKeyUPUIQOIQVMNQAP-UHFFFAOYSA-M
XLogP1.17
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 51.17
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 heptacosyl sulfate
CID 155090064
sodium hexyl sulfate
CID 23678858
disodium bis(hexadecyl sulfate)
CID 10394875
sodium pentadecyl sulfate
CID 23700089
aluminum;sodium;dodecyl sulfate
CID 160751560
sodium;dodecyl sulfate;bis(oxygen(2-));titanium(4+)
CID 162039562
potassium decyl sulfate
CID 23673657
copper(1+);dodecyl sulfate
CID 174360133
cobalt(2+);dodecyl sulfate
CID 87268751
dodecyl sulfate;gadolinium(3+)
CID 102378284
calcium nonyl sulfate
CID 101286747
zinc octyl sulfate
CID 139716471

Frequently Asked Questions

What is the IUPAC name of sodium tetradecyl sulfate?
The IUPAC name of sodium tetradecyl sulfate (CID 23665770) is sodium tetradecyl sulfate.
What is the SMILES notation for sodium tetradecyl sulfate?
The canonical SMILES for sodium tetradecyl sulfate is CCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium tetradecyl sulfate?
The InChIKey is UPUIQOIQVMNQAP-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H30O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H,15,16,17);/q;+1/p-1.
What are the key properties of sodium tetradecyl sulfate?
sodium tetradecyl sulfate has a molecular weight of 316.44 g/mol, XLogP of 1.17, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium tetradecyl sulfate is sourced from PubChem (CID 23665770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).