trimethyl(3-tripropoxysilylpropyl)azanium hydroxide

C15H37NO4Si — CID 87513225

IUPACtrimethyl(3-tripropoxysilylpropyl)azanium hydroxide
SMILESCCCO[Si](CCC[N+](C)(C)C)(OCCC)OCCC.[OH-]
InChIInChI=1S/C15H36NO3Si.H2O/c1-7-12-17-20(18-13-8-2,19-14-9-3)15-10-11-16(4,5)6;/h7-15H2,1-6H3;1H2/q+1;/p-1
InChIKeyAVHCVBPWRPXSCJ-UHFFFAOYSA-M
MW323.55 g/mol
LogP3.12
Rot. Bonds13

About trimethyl(3-tripropoxysilylpropyl)azanium hydroxide

trimethyl(3-tripropoxysilylpropyl)azanium hydroxide (PubChem CID 87513225) has the molecular formula C15H37NO4Si and a molecular weight of 323.55 g/mol. Its IUPAC name is trimethyl(3-tripropoxysilylpropyl)azanium hydroxide.

Molecular Properties

Compound Nametrimethyl(3-tripropoxysilylpropyl)azanium hydroxide
PubChem CID87513225
Molecular FormulaC15H37NO4Si
Molecular Weight323.55 g/mol
Exact Mass323.25
IUPAC Nametrimethyl(3-tripropoxysilylpropyl)azanium hydroxide
SMILESCCCO[Si](CCC[N+](C)(C)C)(OCCC)OCCC.[OH-]
InChIInChI=1S/C15H36NO3Si.H2O/c1-7-12-17-20(18-13-8-2,19-14-9-3)15-10-11-16(4,5)6;/h7-15H2,1-6H3;1H2/q+1;/p-1
InChIKeyAVHCVBPWRPXSCJ-UHFFFAOYSA-M
XLogP3.12
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.55
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl(3-tripropoxysilylpropyl)azanium hydroxide?
The IUPAC name of trimethyl(3-tripropoxysilylpropyl)azanium hydroxide (CID 87513225) is trimethyl(3-tripropoxysilylpropyl)azanium hydroxide.
What is the SMILES notation for trimethyl(3-tripropoxysilylpropyl)azanium hydroxide?
The canonical SMILES for trimethyl(3-tripropoxysilylpropyl)azanium hydroxide is CCCO[Si](CCC[N+](C)(C)C)(OCCC)OCCC.[OH-].
What is the InChIKey of trimethyl(3-tripropoxysilylpropyl)azanium hydroxide?
The InChIKey is AVHCVBPWRPXSCJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H36NO3Si.H2O/c1-7-12-17-20(18-13-8-2,19-14-9-3)15-10-11-16(4,5)6;/h7-15H2,1-6H3;1H2/q+1;/p-1.
What are the key properties of trimethyl(3-tripropoxysilylpropyl)azanium hydroxide?
trimethyl(3-tripropoxysilylpropyl)azanium hydroxide has a molecular weight of 323.55 g/mol, XLogP of 3.12, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(3-tripropoxysilylpropyl)azanium hydroxide is sourced from PubChem (CID 87513225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).