lithium;octane;sulfite

C8H18LiO3S- — CID 122668940

IUPAClithium;octane;sulfite
SMILESCCCCCCCC.O=S([O-])[O-].[Li+]
InChIInChI=1S/C8H18.Li.H2O3S/c1-3-5-7-8-6-4-2;;1-4(2)3/h3-8H2,1-2H3;;(H2,1,2,3)/q;+1;/p-2
InChIKeyHJHLCMASMHDBJX-UHFFFAOYSA-L
MW201.24 g/mol
LogP-0.63
Rot. Bonds5

About lithium;octane;sulfite

lithium;octane;sulfite (PubChem CID 122668940) has the molecular formula C8H18LiO3S- and a molecular weight of 201.24 g/mol. Its IUPAC name is lithium;octane;sulfite.

Molecular Properties

Compound Namelithium;octane;sulfite
PubChem CID122668940
Molecular FormulaC8H18LiO3S-
Molecular Weight201.24 g/mol
Exact Mass201.11
IUPAC Namelithium;octane;sulfite
SMILESCCCCCCCC.O=S([O-])[O-].[Li+]
InChIInChI=1S/C8H18.Li.H2O3S/c1-3-5-7-8-6-4-2;;1-4(2)3/h3-8H2,1-2H3;;(H2,1,2,3)/q;+1;/p-2
InChIKeyHJHLCMASMHDBJX-UHFFFAOYSA-L
XLogP-0.63
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium octadecane-1-sulfinate
CID 23714371
sodium;1-dodecoxydodecane;sulfite
CID 89262454
sodium nonane-1-sulfinate
CID 86740195
silver dodecane-1-sulfinate
CID 86740193
lithium;dodecyl sulfite;hydride
CID 174417370
trilithium;hydride;icosane
CID 173415382
lithium;dodecane;hydride
CID 173115706
propane sulfite
CID 21270602
disodium;bis(tetradecane);sulfate
CID 173098136
sodium;dodecane;sulfate
CID 23355954
CID 161246447
CID 161246447
hexacosane;octacosane
CID 158944700

Frequently Asked Questions

What is the IUPAC name of lithium;octane;sulfite?
The IUPAC name of lithium;octane;sulfite (CID 122668940) is lithium;octane;sulfite.
What is the SMILES notation for lithium;octane;sulfite?
The canonical SMILES for lithium;octane;sulfite is CCCCCCCC.O=S([O-])[O-].[Li+].
What is the InChIKey of lithium;octane;sulfite?
The InChIKey is HJHLCMASMHDBJX-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H18.Li.H2O3S/c1-3-5-7-8-6-4-2;;1-4(2)3/h3-8H2,1-2H3;;(H2,1,2,3)/q;+1;/p-2.
What are the key properties of lithium;octane;sulfite?
lithium;octane;sulfite has a molecular weight of 201.24 g/mol, XLogP of -0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;octane;sulfite is sourced from PubChem (CID 122668940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).