sodium;hydride;oct-1-ene-1-sulfonic acid

C8H17NaO3S — CID 173113775

IUPACsodium;hydride;oct-1-ene-1-sulfonic acid
SMILESCCCCCCC=CS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C8H16O3S.Na.H/c1-2-3-4-5-6-7-8-12(9,10)11;;/h7-8H,2-6H2,1H3,(H,9,10,11);;/q;+1;-1
InChIKeySQFLHBCLLOKFTN-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.53
Rot. Bonds6

About sodium;hydride;oct-1-ene-1-sulfonic acid

sodium;hydride;oct-1-ene-1-sulfonic acid (PubChem CID 173113775) has the molecular formula C8H17NaO3S and a molecular weight of 216.28 g/mol. Its IUPAC name is sodium;hydride;oct-1-ene-1-sulfonic acid.

Molecular Properties

Compound Namesodium;hydride;oct-1-ene-1-sulfonic acid
PubChem CID173113775
Molecular FormulaC8H17NaO3S
Molecular Weight216.28 g/mol
Exact Mass216.08
IUPAC Namesodium;hydride;oct-1-ene-1-sulfonic acid
SMILESCCCCCCC=CS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C8H16O3S.Na.H/c1-2-3-4-5-6-7-8-12(9,10)11;;/h7-8H,2-6H2,1H3,(H,9,10,11);;/q;+1;-1
InChIKeySQFLHBCLLOKFTN-UHFFFAOYSA-N
XLogP-0.53
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

lithium;hydride;tetradec-1-ene-1-sulfonic acid
CID 173398545
(E)-octadec-1-ene-1-sulfonic acid
CID 6437334
sodium (Z)-octadec-1-ene-1-sulfonate
CID 23695355
disodium;hydride;tetradec-1-enylsulfonyl tetradec-1-ene-1-sulfonate
CID 173209963
sodium;hydride;(Z)-octadec-9-ene-1-sulfonic acid
CID 173328346
hexadec-1-en-1-ol;sulfuric acid
CID 173403496
sodium;hydride;sulfuric acid;undecane
CID 172996516
disodium;hydride;(Z)-octadec-9-ene
CID 173005527
sodium;hydride;(Z)-octadec-9-enamide;sulfuric acid
CID 174552501
(E)-octacos-2-ene-1-sulfonic acid
CID 90188027
tetradec-3-ene-1-sulfonic acid
CID 54404053
hexadec-4-ene-1-sulfonic acid
CID 54039350

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;oct-1-ene-1-sulfonic acid?
The IUPAC name of sodium;hydride;oct-1-ene-1-sulfonic acid (CID 173113775) is sodium;hydride;oct-1-ene-1-sulfonic acid.
What is the SMILES notation for sodium;hydride;oct-1-ene-1-sulfonic acid?
The canonical SMILES for sodium;hydride;oct-1-ene-1-sulfonic acid is CCCCCCC=CS(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;oct-1-ene-1-sulfonic acid?
The InChIKey is SQFLHBCLLOKFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S.Na.H/c1-2-3-4-5-6-7-8-12(9,10)11;;/h7-8H,2-6H2,1H3,(H,9,10,11);;/q;+1;-1.
What are the key properties of sodium;hydride;oct-1-ene-1-sulfonic acid?
sodium;hydride;oct-1-ene-1-sulfonic acid has a molecular weight of 216.28 g/mol, XLogP of -0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;oct-1-ene-1-sulfonic acid is sourced from PubChem (CID 173113775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).