lithium octane-1-sulfonoperoxoate

C8H17LiO4S — CID 158949826

IUPAClithium octane-1-sulfonoperoxoate
SMILESCCCCCCCCS(=O)(=O)O[O-].[Li+]
InChIInChI=1S/C8H18O4S.Li/c1-2-3-4-5-6-7-8-13(10,11)12-9;/h9H,2-8H2,1H3;/q;+1/p-1
InChIKeyUVIYRMUWENCWAV-UHFFFAOYSA-M
MW216.23 g/mol
LogP-2.03
Rot. Bonds8

About lithium octane-1-sulfonoperoxoate

lithium octane-1-sulfonoperoxoate (PubChem CID 158949826) has the molecular formula C8H17LiO4S and a molecular weight of 216.23 g/mol. Its IUPAC name is lithium octane-1-sulfonoperoxoate.

Molecular Properties

Compound Namelithium octane-1-sulfonoperoxoate
PubChem CID158949826
Molecular FormulaC8H17LiO4S
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namelithium octane-1-sulfonoperoxoate
SMILESCCCCCCCCS(=O)(=O)O[O-].[Li+]
InChIInChI=1S/C8H18O4S.Li/c1-2-3-4-5-6-7-8-13(10,11)12-9;/h9H,2-8H2,1H3;/q;+1/p-1
InChIKeyUVIYRMUWENCWAV-UHFFFAOYSA-M
XLogP-2.03
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-2.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

hydroxymethyl heptane-1-sulfonate
CID 174685391
dipotassium;dodecylsulfonyloxysulfonyl dodecane-1-sulfonate;hydride
CID 174960478
ethyl dodecane-1-sulfonate
CID 91372072
phosphanyl tetradecane-1-sulfonate
CID 139601424
ethyl decane-1-sulfonate
CID 22672297
ethyl nonane-1-sulfonate
CID 152681372
azane;ethyl hexane-1-sulfonate
CID 174617270
tridecyl tridecane-1-sulfonate
CID 123645713
fluoro octane-1-sulfonate;zirconium
CID 175196316
hexadecyl octane-1-sulfonate
CID 172859291
aminooxysulfonyl octane-1-sulfonate
CID 174717330
dimethylamino nonadecane-1-sulfonate
CID 57284762

Frequently Asked Questions

What is the IUPAC name of lithium octane-1-sulfonoperoxoate?
The IUPAC name of lithium octane-1-sulfonoperoxoate (CID 158949826) is lithium octane-1-sulfonoperoxoate.
What is the SMILES notation for lithium octane-1-sulfonoperoxoate?
The canonical SMILES for lithium octane-1-sulfonoperoxoate is CCCCCCCCS(=O)(=O)O[O-].[Li+].
What is the InChIKey of lithium octane-1-sulfonoperoxoate?
The InChIKey is UVIYRMUWENCWAV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18O4S.Li/c1-2-3-4-5-6-7-8-13(10,11)12-9;/h9H,2-8H2,1H3;/q;+1/p-1.
What are the key properties of lithium octane-1-sulfonoperoxoate?
lithium octane-1-sulfonoperoxoate has a molecular weight of 216.23 g/mol, XLogP of -2.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium octane-1-sulfonoperoxoate is sourced from PubChem (CID 158949826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).