trimethyl-[1-(1-phenylethyl)azetidin-3-yl]oxysilane

C14H23NOSi — CID 14089790

IUPACtrimethyl-[1-(1-phenylethyl)azetidin-3-yl]oxysilane
SMILESCC(c1ccccc1)N1CC(O[Si](C)(C)C)C1
InChIInChI=1S/C14H23NOSi/c1-12(13-8-6-5-7-9-13)15-10-14(11-15)16-17(2,3)4/h5-9,12,14H,10-11H2,1-4H3
InChIKeyAJIZXHVQPRGLGM-UHFFFAOYSA-N
MW249.43 g/mol
LogP3.28
Rot. Bonds4

About trimethyl-[1-(1-phenylethyl)azetidin-3-yl]oxysilane

trimethyl-[1-(1-phenylethyl)azetidin-3-yl]oxysilane (PubChem CID 14089790) has the molecular formula C14H23NOSi and a molecular weight of 249.43 g/mol. Its IUPAC name is trimethyl-[1-(1-phenylethyl)azetidin-3-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[1-(1-phenylethyl)azetidin-3-yl]oxysilane
PubChem CID14089790
Molecular FormulaC14H23NOSi
Molecular Weight249.43 g/mol
Exact Mass249.15
IUPAC Nametrimethyl-[1-(1-phenylethyl)azetidin-3-yl]oxysilane
SMILESCC(c1ccccc1)N1CC(O[Si](C)(C)C)C1
InChIInChI=1S/C14H23NOSi/c1-12(13-8-6-5-7-9-13)15-10-14(11-15)16-17(2,3)4/h5-9,12,14H,10-11H2,1-4H3
InChIKeyAJIZXHVQPRGLGM-UHFFFAOYSA-N
XLogP3.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-(1-phenylethyl)azetidin-3-yl]oxysilane?
The IUPAC name of trimethyl-[1-(1-phenylethyl)azetidin-3-yl]oxysilane (CID 14089790) is trimethyl-[1-(1-phenylethyl)azetidin-3-yl]oxysilane.
What is the SMILES notation for trimethyl-[1-(1-phenylethyl)azetidin-3-yl]oxysilane?
The canonical SMILES for trimethyl-[1-(1-phenylethyl)azetidin-3-yl]oxysilane is CC(c1ccccc1)N1CC(O[Si](C)(C)C)C1.
What is the InChIKey of trimethyl-[1-(1-phenylethyl)azetidin-3-yl]oxysilane?
The InChIKey is AJIZXHVQPRGLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOSi/c1-12(13-8-6-5-7-9-13)15-10-14(11-15)16-17(2,3)4/h5-9,12,14H,10-11H2,1-4H3.
What are the key properties of trimethyl-[1-(1-phenylethyl)azetidin-3-yl]oxysilane?
trimethyl-[1-(1-phenylethyl)azetidin-3-yl]oxysilane has a molecular weight of 249.43 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-(1-phenylethyl)azetidin-3-yl]oxysilane is sourced from PubChem (CID 14089790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).