methanesulfonate;trimethyl(3-trimethoxysilylpropyl)azanium

C10H27NO6SSi — CID 86654371

IUPACmethanesulfonate;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;/p-1
InChIKeyHUBDUUPCQYLZNG-UHFFFAOYSA-M
MW317.48 g/mol
LogP0.12
Rot. Bonds7

About methanesulfonate;trimethyl(3-trimethoxysilylpropyl)azanium

methanesulfonate;trimethyl(3-trimethoxysilylpropyl)azanium (PubChem CID 86654371) has the molecular formula C10H27NO6SSi and a molecular weight of 317.48 g/mol. Its IUPAC name is methanesulfonate;trimethyl(3-trimethoxysilylpropyl)azanium.

Molecular Properties

Compound Namemethanesulfonate;trimethyl(3-trimethoxysilylpropyl)azanium
PubChem CID86654371
Molecular FormulaC10H27NO6SSi
Molecular Weight317.48 g/mol
Exact Mass317.13
IUPAC Namemethanesulfonate;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;/p-1
InChIKeyHUBDUUPCQYLZNG-UHFFFAOYSA-M
XLogP0.12
TPSA84.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 methanesulfonate;trimethyl(3-trimethoxysilylpropyl)azanium?
The IUPAC name of methanesulfonate;trimethyl(3-trimethoxysilylpropyl)azanium (CID 86654371) is methanesulfonate;trimethyl(3-trimethoxysilylpropyl)azanium.
What is the SMILES notation for methanesulfonate;trimethyl(3-trimethoxysilylpropyl)azanium?
The canonical SMILES for methanesulfonate;trimethyl(3-trimethoxysilylpropyl)azanium is CO[Si](CCC[N+](C)(C)C)(OC)OC.CS(=O)(=O)[O-].
What is the InChIKey of methanesulfonate;trimethyl(3-trimethoxysilylpropyl)azanium?
The InChIKey is HUBDUUPCQYLZNG-UHFFFAOYSA-M. 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;/p-1.
What are the key properties of methanesulfonate;trimethyl(3-trimethoxysilylpropyl)azanium?
methanesulfonate;trimethyl(3-trimethoxysilylpropyl)azanium has a molecular weight of 317.48 g/mol, XLogP of 0.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonate;trimethyl(3-trimethoxysilylpropyl)azanium is sourced from PubChem (CID 86654371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).