sodium;dodecylsulfonyl acetate;hydride

C14H29NaO4S — CID 173360678

IUPACsodium;dodecylsulfonyl acetate;hydride
SMILESCCCCCCCCCCCCS(=O)(=O)OC(C)=O.[H-].[Na+]
InChIInChI=1S/C14H28O4S.Na.H/c1-3-4-5-6-7-8-9-10-11-12-13-19(16,17)18-14(2)15;;/h3-13H2,1-2H3;;/q;+1;-1
InChIKeyUNRXEQBTIXZXFQ-UHFFFAOYSA-N
MW316.44 g/mol
LogP0.92
Rot. Bonds12

About sodium;dodecylsulfonyl acetate;hydride

sodium;dodecylsulfonyl acetate;hydride (PubChem CID 173360678) has the molecular formula C14H29NaO4S and a molecular weight of 316.44 g/mol. Its IUPAC name is sodium;dodecylsulfonyl acetate;hydride.

Molecular Properties

Compound Namesodium;dodecylsulfonyl acetate;hydride
PubChem CID173360678
Molecular FormulaC14H29NaO4S
Molecular Weight316.44 g/mol
Exact Mass316.17
IUPAC Namesodium;dodecylsulfonyl acetate;hydride
SMILESCCCCCCCCCCCCS(=O)(=O)OC(C)=O.[H-].[Na+]
InChIInChI=1S/C14H28O4S.Na.H/c1-3-4-5-6-7-8-9-10-11-12-13-19(16,17)18-14(2)15;;/h3-13H2,1-2H3;;/q;+1;-1
InChIKeyUNRXEQBTIXZXFQ-UHFFFAOYSA-N
XLogP0.92
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 50.92
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_1', 'substructure': 'N/A'}

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Related Compounds

bis(tetradecylsulfonyl) butanedioate
CID 57157318
[dimethyl(octyl)-λ4-sulfanyl] acetate
CID 156754530
sodium;dodecyl dodecane-1-sulfonate;hydride
CID 173412945
sodium 4-oxo-4-tridecylsulfonyloxybutanoate
CID 174263731
hydroxymethyl heptane-1-sulfonate
CID 174685391
lithium;docosyl dodecane-1-sulfonate;hydride
CID 175529583
ethyl dodecane-1-sulfonate
CID 91372072
ethyl decane-1-sulfonate
CID 22672297
ethyl nonane-1-sulfonate
CID 152681372
magnesium;hydride;nonyl nonane-1-sulfonate
CID 174803071
tridecyl tridecane-1-sulfonate
CID 123645713
azane;ethyl hexane-1-sulfonate
CID 174617270

Frequently Asked Questions

What is the IUPAC name of sodium;dodecylsulfonyl acetate;hydride?
The IUPAC name of sodium;dodecylsulfonyl acetate;hydride (CID 173360678) is sodium;dodecylsulfonyl acetate;hydride.
What is the SMILES notation for sodium;dodecylsulfonyl acetate;hydride?
The canonical SMILES for sodium;dodecylsulfonyl acetate;hydride is CCCCCCCCCCCCS(=O)(=O)OC(C)=O.[H-].[Na+].
What is the InChIKey of sodium;dodecylsulfonyl acetate;hydride?
The InChIKey is UNRXEQBTIXZXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4S.Na.H/c1-3-4-5-6-7-8-9-10-11-12-13-19(16,17)18-14(2)15;;/h3-13H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;dodecylsulfonyl acetate;hydride?
sodium;dodecylsulfonyl acetate;hydride has a molecular weight of 316.44 g/mol, XLogP of 0.92, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecylsulfonyl acetate;hydride is sourced from PubChem (CID 173360678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).