sodium tetradec-1-ene-1-sulfonate

C14H27NaO3S — CID 53438066

IUPACsodium tetradec-1-ene-1-sulfonate
SMILESCCCCCCCCCCCCC=CS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C14H28O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17;/h13-14H,2-12H2,1H3,(H,15,16,17);/q;+1/p-1
InChIKeyRUTSRVMUIGMTHJ-UHFFFAOYSA-M
MW298.42 g/mol
LogP1.36
Rot. Bonds12

About sodium tetradec-1-ene-1-sulfonate

sodium tetradec-1-ene-1-sulfonate (PubChem CID 53438066) has the molecular formula C14H27NaO3S and a molecular weight of 298.42 g/mol. Its IUPAC name is sodium tetradec-1-ene-1-sulfonate.

Molecular Properties

Compound Namesodium tetradec-1-ene-1-sulfonate
PubChem CID53438066
Molecular FormulaC14H27NaO3S
Molecular Weight298.42 g/mol
Exact Mass298.16
IUPAC Namesodium tetradec-1-ene-1-sulfonate
SMILESCCCCCCCCCCCCC=CS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C14H28O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17;/h13-14H,2-12H2,1H3,(H,15,16,17);/q;+1/p-1
InChIKeyRUTSRVMUIGMTHJ-UHFFFAOYSA-M
XLogP1.36
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium tetradec-1-ene-1-sulfonate?
The IUPAC name of sodium tetradec-1-ene-1-sulfonate (CID 53438066) is sodium tetradec-1-ene-1-sulfonate.
What is the SMILES notation for sodium tetradec-1-ene-1-sulfonate?
The canonical SMILES for sodium tetradec-1-ene-1-sulfonate is CCCCCCCCCCCCC=CS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium tetradec-1-ene-1-sulfonate?
The InChIKey is RUTSRVMUIGMTHJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H28O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17;/h13-14H,2-12H2,1H3,(H,15,16,17);/q;+1/p-1.
What are the key properties of sodium tetradec-1-ene-1-sulfonate?
sodium tetradec-1-ene-1-sulfonate has a molecular weight of 298.42 g/mol, XLogP of 1.36, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium tetradec-1-ene-1-sulfonate is sourced from PubChem (CID 53438066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).