lithium 2-methylpropyl sulfate

C4H9LiO4S — CID 158872210

IUPAClithium 2-methylpropyl sulfate
SMILESCC(C)COS(=O)(=O)[O-].[Li+]
InChIInChI=1S/C4H10O4S.Li/c1-4(2)3-8-9(5,6)7;/h4H,3H2,1-2H3,(H,5,6,7);/q;+1/p-1
InChIKeyJBZFWGZDDBYZAO-UHFFFAOYSA-M
MW160.12 g/mol
LogP-2.88
Rot. Bonds3

About lithium 2-methylpropyl sulfate

lithium 2-methylpropyl sulfate (PubChem CID 158872210) has the molecular formula C4H9LiO4S and a molecular weight of 160.12 g/mol. Its IUPAC name is lithium 2-methylpropyl sulfate.

Molecular Properties

Compound Namelithium 2-methylpropyl sulfate
PubChem CID158872210
Molecular FormulaC4H9LiO4S
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Namelithium 2-methylpropyl sulfate
SMILESCC(C)COS(=O)(=O)[O-].[Li+]
InChIInChI=1S/C4H10O4S.Li/c1-4(2)3-8-9(5,6)7;/h4H,3H2,1-2H3,(H,5,6,7);/q;+1/p-1
InChIKeyJBZFWGZDDBYZAO-UHFFFAOYSA-M
XLogP-2.88
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 5-2.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

(2-azaniumyl-4-methylpentyl) sulfate
CID 73425009
[(2R)-2,6-dimethylheptyl] sulfate
CID 44575331
ethyl sulfate;tetramethylphosphanium
CID 161050866
2-methylpropyl sulfamate
CID 10219546
2-methylpropyl methylsulfonylmethanesulfonate
CID 177304601
2-methylpropyl trifluoromethanesulfonate
CID 639197
potassium;hydride;2-methylpropyl 2-methylpropane-1-sulfonate
CID 175022763
ethyl sulfate;thulium(3+)
CID 25022214
cadmium(2+);ethyl sulfate
CID 57361489
ethyl sulfate;yttrium(3+)
CID 57361497
dysprosium(3+);ethyl sulfate
CID 57346753
sodium 2-heptylhexadecyl sulfate
CID 101287328

Frequently Asked Questions

What is the IUPAC name of lithium 2-methylpropyl sulfate?
The IUPAC name of lithium 2-methylpropyl sulfate (CID 158872210) is lithium 2-methylpropyl sulfate.
What is the SMILES notation for lithium 2-methylpropyl sulfate?
The canonical SMILES for lithium 2-methylpropyl sulfate is CC(C)COS(=O)(=O)[O-].[Li+].
What is the InChIKey of lithium 2-methylpropyl sulfate?
The InChIKey is JBZFWGZDDBYZAO-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10O4S.Li/c1-4(2)3-8-9(5,6)7;/h4H,3H2,1-2H3,(H,5,6,7);/q;+1/p-1.
What are the key properties of lithium 2-methylpropyl sulfate?
lithium 2-methylpropyl sulfate has a molecular weight of 160.12 g/mol, XLogP of -2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methylpropyl sulfate is sourced from PubChem (CID 158872210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).