disodium;hydride;tetradec-1-enylsulfonyl tetradec-1-ene-1-sulfonate

C28H56Na2O5S2 — CID 173209963

IUPACdisodium;hydride;tetradec-1-enylsulfonyl tetradec-1-ene-1-sulfonate
SMILESCCCCCCCCCCCCC=CS(=O)(=O)OS(=O)(=O)C=CCCCCCCCCCCCC.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C28H54O5S2.2Na.2H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-34(29,30)33-35(31,32)28-26-24-22-20-18-16-14-12-10-8-6-4-2;;;;/h25-28H,3-24H2,1-2H3;;;;/q;2*+1;2*-1
InChIKeyIUSQAQONRDGDCP-UHFFFAOYSA-N
MW582.87 g/mol
LogP3.55
Rot. Bonds26

About disodium;hydride;tetradec-1-enylsulfonyl tetradec-1-ene-1-sulfonate

disodium;hydride;tetradec-1-enylsulfonyl tetradec-1-ene-1-sulfonate (PubChem CID 173209963) has the molecular formula C28H56Na2O5S2 and a molecular weight of 582.87 g/mol. Its IUPAC name is disodium;hydride;tetradec-1-enylsulfonyl tetradec-1-ene-1-sulfonate.

Molecular Properties

Compound Namedisodium;hydride;tetradec-1-enylsulfonyl tetradec-1-ene-1-sulfonate
PubChem CID173209963
Molecular FormulaC28H56Na2O5S2
Molecular Weight582.87 g/mol
Exact Mass582.34
IUPAC Namedisodium;hydride;tetradec-1-enylsulfonyl tetradec-1-ene-1-sulfonate
SMILESCCCCCCCCCCCCC=CS(=O)(=O)OS(=O)(=O)C=CCCCCCCCCCCCC.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C28H54O5S2.2Na.2H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-34(29,30)33-35(31,32)28-26-24-22-20-18-16-14-12-10-8-6-4-2;;;;/h25-28H,3-24H2,1-2H3;;;;/q;2*+1;2*-1
InChIKeyIUSQAQONRDGDCP-UHFFFAOYSA-N
XLogP3.55
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.87
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dodecyl dodec-1-ene-1-sulfonate
CID 170848113
sodium;hydride;oct-1-ene-1-sulfonic acid
CID 173113775
sodium (Z)-octadec-1-ene-1-sulfonate
CID 23695355
lithium;hydride;tetradec-1-ene-1-sulfonic acid
CID 173398545
2-methylpropyl nonadec-1-ene-1-sulfonate
CID 175753595
(E)-octadec-1-ene-1-sulfonic acid
CID 6437334
disodium;hydride;(Z)-octadec-9-ene
CID 173005527
1-(bromomethylsulfonyl)dec-1-ene
CID 54400319
CID 172829566
CID 172829566
sodium;hydride;(Z)-octadec-9-ene-1-sulfonic acid
CID 173328346
magnesium;hydride;(Z)-octadec-9-ene
CID 173078644
(24Z)-hexatriaconta-9,24-diene
CID 173127472

Frequently Asked Questions

What is the IUPAC name of disodium;hydride;tetradec-1-enylsulfonyl tetradec-1-ene-1-sulfonate?
The IUPAC name of disodium;hydride;tetradec-1-enylsulfonyl tetradec-1-ene-1-sulfonate (CID 173209963) is disodium;hydride;tetradec-1-enylsulfonyl tetradec-1-ene-1-sulfonate.
What is the SMILES notation for disodium;hydride;tetradec-1-enylsulfonyl tetradec-1-ene-1-sulfonate?
The canonical SMILES for disodium;hydride;tetradec-1-enylsulfonyl tetradec-1-ene-1-sulfonate is CCCCCCCCCCCCC=CS(=O)(=O)OS(=O)(=O)C=CCCCCCCCCCCCC.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;tetradec-1-enylsulfonyl tetradec-1-ene-1-sulfonate?
The InChIKey is IUSQAQONRDGDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54O5S2.2Na.2H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-34(29,30)33-35(31,32)28-26-24-22-20-18-16-14-12-10-8-6-4-2;;;;/h25-28H,3-24H2,1-2H3;;;;/q;2*+1;2*-1.
What are the key properties of disodium;hydride;tetradec-1-enylsulfonyl tetradec-1-ene-1-sulfonate?
disodium;hydride;tetradec-1-enylsulfonyl tetradec-1-ene-1-sulfonate has a molecular weight of 582.87 g/mol, XLogP of 3.55, 26 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;tetradec-1-enylsulfonyl tetradec-1-ene-1-sulfonate is sourced from PubChem (CID 173209963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).