lithium 2-tri(propan-2-yl)silyloxysulfonylethanesulfonate

C11H25LiO6S2Si — CID 87764502

IUPAClithium 2-tri(propan-2-yl)silyloxysulfonylethanesulfonate
SMILESCC(C)[Si](OS(=O)(=O)CCS(=O)(=O)[O-])(C(C)C)C(C)C.[Li+]
InChIInChI=1S/C11H26O6S2Si.Li/c1-9(2)20(10(3)4,11(5)6)17-19(15,16)8-7-18(12,13)14;/h9-11H,7-8H2,1-6H3,(H,12,13,14);/q;+1/p-1
InChIKeyQYMJKQKXRIFEKD-UHFFFAOYSA-M
MW352.48 g/mol
LogP-0.94
Rot. Bonds8

About lithium 2-tri(propan-2-yl)silyloxysulfonylethanesulfonate

lithium 2-tri(propan-2-yl)silyloxysulfonylethanesulfonate (PubChem CID 87764502) has the molecular formula C11H25LiO6S2Si and a molecular weight of 352.48 g/mol. Its IUPAC name is lithium 2-tri(propan-2-yl)silyloxysulfonylethanesulfonate.

Molecular Properties

Compound Namelithium 2-tri(propan-2-yl)silyloxysulfonylethanesulfonate
PubChem CID87764502
Molecular FormulaC11H25LiO6S2Si
Molecular Weight352.48 g/mol
Exact Mass352.10
IUPAC Namelithium 2-tri(propan-2-yl)silyloxysulfonylethanesulfonate
SMILESCC(C)[Si](OS(=O)(=O)CCS(=O)(=O)[O-])(C(C)C)C(C)C.[Li+]
InChIInChI=1S/C11H26O6S2Si.Li/c1-9(2)20(10(3)4,11(5)6)17-19(15,16)8-7-18(12,13)14;/h9-11H,7-8H2,1-6H3,(H,12,13,14);/q;+1/p-1
InChIKeyQYMJKQKXRIFEKD-UHFFFAOYSA-M
XLogP-0.94
TPSA100.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 5-0.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tri(propan-2-yl)silyl propane-1-sulfonate
CID 21103012
lithium 2-ethoxysulfonylethanesulfonate
CID 87764163
dilithium;ethane-1,2-disulfonate
CID 87246309
ethane-1,2-disulfonate;silver
CID 87079782
strontium ethane-1,2-disulfonate
CID 87366284
lithium 3-methylbutane-1-sulfonate
CID 122481809
bis(3-methylbutane-1-sulfonate);nickel(2+)
CID 18692785
lithium butane-1-sulfonate
CID 23684871
3-oxo-3-propan-2-yloxypropane-1-sulfonate
CID 156663671
3-methylpentane-1-sulfonate
CID 22945238
lithium propane-1-sulfonate
CID 131984534
aluminum tris(butane-1-sulfonate)
CID 158588198

Frequently Asked Questions

What is the IUPAC name of lithium 2-tri(propan-2-yl)silyloxysulfonylethanesulfonate?
The IUPAC name of lithium 2-tri(propan-2-yl)silyloxysulfonylethanesulfonate (CID 87764502) is lithium 2-tri(propan-2-yl)silyloxysulfonylethanesulfonate.
What is the SMILES notation for lithium 2-tri(propan-2-yl)silyloxysulfonylethanesulfonate?
The canonical SMILES for lithium 2-tri(propan-2-yl)silyloxysulfonylethanesulfonate is CC(C)[Si](OS(=O)(=O)CCS(=O)(=O)[O-])(C(C)C)C(C)C.[Li+].
What is the InChIKey of lithium 2-tri(propan-2-yl)silyloxysulfonylethanesulfonate?
The InChIKey is QYMJKQKXRIFEKD-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H26O6S2Si.Li/c1-9(2)20(10(3)4,11(5)6)17-19(15,16)8-7-18(12,13)14;/h9-11H,7-8H2,1-6H3,(H,12,13,14);/q;+1/p-1.
What are the key properties of lithium 2-tri(propan-2-yl)silyloxysulfonylethanesulfonate?
lithium 2-tri(propan-2-yl)silyloxysulfonylethanesulfonate has a molecular weight of 352.48 g/mol, XLogP of -0.94, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-tri(propan-2-yl)silyloxysulfonylethanesulfonate is sourced from PubChem (CID 87764502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).