dipotassium;dodecylsulfonyloxysulfonyl dodecane-1-sulfonate;hydride

C24H52K2O8S3 — CID 174960478

IUPACdipotassium;dodecylsulfonyloxysulfonyl dodecane-1-sulfonate;hydride
SMILESCCCCCCCCCCCCS(=O)(=O)OS(=O)(=O)OS(=O)(=O)CCCCCCCCCCCC.[H-].[H-].[K+].[K+]
InChIInChI=1S/C24H50O8S3.2K.2H/c1-3-5-7-9-11-13-15-17-19-21-23-33(25,26)31-35(29,30)32-34(27,28)24-22-20-18-16-14-12-10-8-6-4-2;;;;/h3-24H2,1-2H3;;;;/q;2*+1;2*-1
InChIKeyFCSOHCGQFNEIIN-UHFFFAOYSA-N
MW643.07 g/mol
LogP1.00
Rot. Bonds26

About dipotassium;dodecylsulfonyloxysulfonyl dodecane-1-sulfonate;hydride

dipotassium;dodecylsulfonyloxysulfonyl dodecane-1-sulfonate;hydride (PubChem CID 174960478) has the molecular formula C24H52K2O8S3 and a molecular weight of 643.07 g/mol. Its IUPAC name is dipotassium;dodecylsulfonyloxysulfonyl dodecane-1-sulfonate;hydride.

Molecular Properties

Compound Namedipotassium;dodecylsulfonyloxysulfonyl dodecane-1-sulfonate;hydride
PubChem CID174960478
Molecular FormulaC24H52K2O8S3
Molecular Weight643.07 g/mol
Exact Mass642.21
IUPAC Namedipotassium;dodecylsulfonyloxysulfonyl dodecane-1-sulfonate;hydride
SMILESCCCCCCCCCCCCS(=O)(=O)OS(=O)(=O)OS(=O)(=O)CCCCCCCCCCCC.[H-].[H-].[K+].[K+]
InChIInChI=1S/C24H50O8S3.2K.2H/c1-3-5-7-9-11-13-15-17-19-21-23-33(25,26)31-35(29,30)32-34(27,28)24-22-20-18-16-14-12-10-8-6-4-2;;;;/h3-24H2,1-2H3;;;;/q;2*+1;2*-1
InChIKeyFCSOHCGQFNEIIN-UHFFFAOYSA-N
XLogP1.00
TPSA120.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds26
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500643.07
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

aminooxysulfonyl octane-1-sulfonate
CID 174717330
potassium;fluoro nonane-1-sulfonate;hydride
CID 175529463
lithium octane-1-sulfonoperoxoate
CID 158949826
potassium;hydride;3-hydroxypropyl dodecane-1-sulfonate
CID 174767901
lithium;docosyl dodecane-1-sulfonate;hydride
CID 175529583
hydroxymethyl heptane-1-sulfonate
CID 174685391
ethyl decane-1-sulfonate
CID 22672297
phosphanyl tetradecane-1-sulfonate
CID 139601424
ethyl dodecane-1-sulfonate
CID 91372072
ethyl nonane-1-sulfonate
CID 152681372
sodium;dodecyl dodecane-1-sulfonate;hydride
CID 173412945
magnesium;hydride;nonyl nonane-1-sulfonate
CID 174803071

Frequently Asked Questions

What is the IUPAC name of dipotassium;dodecylsulfonyloxysulfonyl dodecane-1-sulfonate;hydride?
The IUPAC name of dipotassium;dodecylsulfonyloxysulfonyl dodecane-1-sulfonate;hydride (CID 174960478) is dipotassium;dodecylsulfonyloxysulfonyl dodecane-1-sulfonate;hydride.
What is the SMILES notation for dipotassium;dodecylsulfonyloxysulfonyl dodecane-1-sulfonate;hydride?
The canonical SMILES for dipotassium;dodecylsulfonyloxysulfonyl dodecane-1-sulfonate;hydride is CCCCCCCCCCCCS(=O)(=O)OS(=O)(=O)OS(=O)(=O)CCCCCCCCCCCC.[H-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;dodecylsulfonyloxysulfonyl dodecane-1-sulfonate;hydride?
The InChIKey is FCSOHCGQFNEIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O8S3.2K.2H/c1-3-5-7-9-11-13-15-17-19-21-23-33(25,26)31-35(29,30)32-34(27,28)24-22-20-18-16-14-12-10-8-6-4-2;;;;/h3-24H2,1-2H3;;;;/q;2*+1;2*-1.
What are the key properties of dipotassium;dodecylsulfonyloxysulfonyl dodecane-1-sulfonate;hydride?
dipotassium;dodecylsulfonyloxysulfonyl dodecane-1-sulfonate;hydride has a molecular weight of 643.07 g/mol, XLogP of 1.00, 26 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;dodecylsulfonyloxysulfonyl dodecane-1-sulfonate;hydride is sourced from PubChem (CID 174960478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).