trimethyl(1-tripropoxysilylpropyl)azanium hydroxide

C15H37NO4Si — CID 87513223

IUPACtrimethyl(1-tripropoxysilylpropyl)azanium hydroxide
SMILESCCCO[Si](OCCC)(OCCC)C(CC)[N+](C)(C)C.[OH-]
InChIInChI=1S/C15H36NO3Si.H2O/c1-8-12-17-20(18-13-9-2,19-14-10-3)15(11-4)16(5,6)7;/h15H,8-14H2,1-7H3;1H2/q+1;/p-1
InChIKeyOCIPVAWSNMRVTB-UHFFFAOYSA-M
MW323.55 g/mol
LogP3.05
Rot. Bonds12

About trimethyl(1-tripropoxysilylpropyl)azanium hydroxide

trimethyl(1-tripropoxysilylpropyl)azanium hydroxide (PubChem CID 87513223) has the molecular formula C15H37NO4Si and a molecular weight of 323.55 g/mol. Its IUPAC name is trimethyl(1-tripropoxysilylpropyl)azanium hydroxide.

Molecular Properties

Compound Nametrimethyl(1-tripropoxysilylpropyl)azanium hydroxide
PubChem CID87513223
Molecular FormulaC15H37NO4Si
Molecular Weight323.55 g/mol
Exact Mass323.25
IUPAC Nametrimethyl(1-tripropoxysilylpropyl)azanium hydroxide
SMILESCCCO[Si](OCCC)(OCCC)C(CC)[N+](C)(C)C.[OH-]
InChIInChI=1S/C15H36NO3Si.H2O/c1-8-12-17-20(18-13-9-2,19-14-10-3)15(11-4)16(5,6)7;/h15H,8-14H2,1-7H3;1H2/q+1;/p-1
InChIKeyOCIPVAWSNMRVTB-UHFFFAOYSA-M
XLogP3.05
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.55
LogP ≤ 53.05
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'}

Analyze trimethyl(1-tripropoxysilylpropyl)azanium hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl(1-tripropoxysilylpropyl)azanium hydroxide?
The IUPAC name of trimethyl(1-tripropoxysilylpropyl)azanium hydroxide (CID 87513223) is trimethyl(1-tripropoxysilylpropyl)azanium hydroxide.
What is the SMILES notation for trimethyl(1-tripropoxysilylpropyl)azanium hydroxide?
The canonical SMILES for trimethyl(1-tripropoxysilylpropyl)azanium hydroxide is CCCO[Si](OCCC)(OCCC)C(CC)[N+](C)(C)C.[OH-].
What is the InChIKey of trimethyl(1-tripropoxysilylpropyl)azanium hydroxide?
The InChIKey is OCIPVAWSNMRVTB-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H36NO3Si.H2O/c1-8-12-17-20(18-13-9-2,19-14-10-3)15(11-4)16(5,6)7;/h15H,8-14H2,1-7H3;1H2/q+1;/p-1.
What are the key properties of trimethyl(1-tripropoxysilylpropyl)azanium hydroxide?
trimethyl(1-tripropoxysilylpropyl)azanium hydroxide has a molecular weight of 323.55 g/mol, XLogP of 3.05, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1-tripropoxysilylpropyl)azanium hydroxide is sourced from PubChem (CID 87513223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).