3-phenylazetidine;triethoxysilane

C15H27NO3Si — CID 173466257

IUPAC3-phenylazetidine;triethoxysilane
SMILESCCO[SiH](OCC)OCC.c1ccc(C2CNC2)cc1
InChIInChI=1S/C9H11N.C6H16O3Si/c1-2-4-8(5-3-1)9-6-10-7-9;1-4-7-10(8-5-2)9-6-3/h1-5,9-10H,6-7H2;10H,4-6H2,1-3H3
InChIKeyOVHFMEGEEXBHPN-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.19
Rot. Bonds7

About 3-phenylazetidine;triethoxysilane

3-phenylazetidine;triethoxysilane (PubChem CID 173466257) has the molecular formula C15H27NO3Si and a molecular weight of 297.47 g/mol. Its IUPAC name is 3-phenylazetidine;triethoxysilane.

Molecular Properties

Compound Name3-phenylazetidine;triethoxysilane
PubChem CID173466257
Molecular FormulaC15H27NO3Si
Molecular Weight297.47 g/mol
Exact Mass297.18
IUPAC Name3-phenylazetidine;triethoxysilane
SMILESCCO[SiH](OCC)OCC.c1ccc(C2CNC2)cc1
InChIInChI=1S/C9H11N.C6H16O3Si/c1-2-4-8(5-3-1)9-6-10-7-9;1-4-7-10(8-5-2)9-6-3/h1-5,9-10H,6-7H2;10H,4-6H2,1-3H3
InChIKeyOVHFMEGEEXBHPN-UHFFFAOYSA-N
XLogP2.19
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-phenylazetidine;triethoxysilane 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 3-phenylazetidine;triethoxysilane?
The IUPAC name of 3-phenylazetidine;triethoxysilane (CID 173466257) is 3-phenylazetidine;triethoxysilane.
What is the SMILES notation for 3-phenylazetidine;triethoxysilane?
The canonical SMILES for 3-phenylazetidine;triethoxysilane is CCO[SiH](OCC)OCC.c1ccc(C2CNC2)cc1.
What is the InChIKey of 3-phenylazetidine;triethoxysilane?
The InChIKey is OVHFMEGEEXBHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C6H16O3Si/c1-2-4-8(5-3-1)9-6-10-7-9;1-4-7-10(8-5-2)9-6-3/h1-5,9-10H,6-7H2;10H,4-6H2,1-3H3.
What are the key properties of 3-phenylazetidine;triethoxysilane?
3-phenylazetidine;triethoxysilane has a molecular weight of 297.47 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylazetidine;triethoxysilane is sourced from PubChem (CID 173466257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).