methanesulfonic acid;trimethyl(3-trimethoxysilylpropyl)azanium

C10H28NO6SSi+ — CID 87318490

IUPACmethanesulfonic acid;trimethyl(3-trimethoxysilylpropyl)azanium
SMILESCO[Si](CCC[N+](C)(C)C)(OC)OC.CS(=O)(=O)O
InChIInChI=1S/C9H24NO3Si.CH4O3S/c1-10(2,3)8-7-9-14(11-4,12-5)13-6;1-5(2,3)4/h7-9H2,1-6H3;1H3,(H,2,3,4)/q+1;
InChIKeyHUBDUUPCQYLZNG-UHFFFAOYSA-N
MW318.49 g/mol
LogP0.46
Rot. Bonds7

About methanesulfonic acid;trimethyl(3-trimethoxysilylpropyl)azanium

methanesulfonic acid;trimethyl(3-trimethoxysilylpropyl)azanium (PubChem CID 87318490) has the molecular formula C10H28NO6SSi+ and a molecular weight of 318.49 g/mol. Its IUPAC name is methanesulfonic acid;trimethyl(3-trimethoxysilylpropyl)azanium.

Molecular Properties

Compound Namemethanesulfonic acid;trimethyl(3-trimethoxysilylpropyl)azanium
PubChem CID87318490
Molecular FormulaC10H28NO6SSi+
Molecular Weight318.49 g/mol
Exact Mass318.14
IUPAC Namemethanesulfonic acid;trimethyl(3-trimethoxysilylpropyl)azanium
SMILESCO[Si](CCC[N+](C)(C)C)(OC)OC.CS(=O)(=O)O
InChIInChI=1S/C9H24NO3Si.CH4O3S/c1-10(2,3)8-7-9-14(11-4,12-5)13-6;1-5(2,3)4/h7-9H2,1-6H3;1H3,(H,2,3,4)/q+1;
InChIKeyHUBDUUPCQYLZNG-UHFFFAOYSA-N
XLogP0.46
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;trimethyl(3-trimethoxysilylpropyl)azanium?
The IUPAC name of methanesulfonic acid;trimethyl(3-trimethoxysilylpropyl)azanium (CID 87318490) is methanesulfonic acid;trimethyl(3-trimethoxysilylpropyl)azanium.
What is the SMILES notation for methanesulfonic acid;trimethyl(3-trimethoxysilylpropyl)azanium?
The canonical SMILES for methanesulfonic acid;trimethyl(3-trimethoxysilylpropyl)azanium is CO[Si](CCC[N+](C)(C)C)(OC)OC.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;trimethyl(3-trimethoxysilylpropyl)azanium?
The InChIKey is HUBDUUPCQYLZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24NO3Si.CH4O3S/c1-10(2,3)8-7-9-14(11-4,12-5)13-6;1-5(2,3)4/h7-9H2,1-6H3;1H3,(H,2,3,4)/q+1;.
What are the key properties of methanesulfonic acid;trimethyl(3-trimethoxysilylpropyl)azanium?
methanesulfonic acid;trimethyl(3-trimethoxysilylpropyl)azanium has a molecular weight of 318.49 g/mol, XLogP of 0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;trimethyl(3-trimethoxysilylpropyl)azanium is sourced from PubChem (CID 87318490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).