diethoxy-methyl-(3-methyl-1-phenylazetidin-2-yl)silane

C15H25NO2Si — CID 21024220

IUPACdiethoxy-methyl-(3-methyl-1-phenylazetidin-2-yl)silane
SMILESCCO[Si](C)(OCC)C1C(C)CN1c1ccccc1
InChIInChI=1S/C15H25NO2Si/c1-5-17-19(4,18-6-2)15-13(3)12-16(15)14-10-8-7-9-11-14/h7-11,13,15H,5-6,12H2,1-4H3
InChIKeyTYEROJTXKZJPBD-UHFFFAOYSA-N
MW279.46 g/mol
LogP3.20
Rot. Bonds6

About diethoxy-methyl-(3-methyl-1-phenylazetidin-2-yl)silane

diethoxy-methyl-(3-methyl-1-phenylazetidin-2-yl)silane (PubChem CID 21024220) has the molecular formula C15H25NO2Si and a molecular weight of 279.46 g/mol. Its IUPAC name is diethoxy-methyl-(3-methyl-1-phenylazetidin-2-yl)silane.

Molecular Properties

Compound Namediethoxy-methyl-(3-methyl-1-phenylazetidin-2-yl)silane
PubChem CID21024220
Molecular FormulaC15H25NO2Si
Molecular Weight279.46 g/mol
Exact Mass279.17
IUPAC Namediethoxy-methyl-(3-methyl-1-phenylazetidin-2-yl)silane
SMILESCCO[Si](C)(OCC)C1C(C)CN1c1ccccc1
InChIInChI=1S/C15H25NO2Si/c1-5-17-19(4,18-6-2)15-13(3)12-16(15)14-10-8-7-9-11-14/h7-11,13,15H,5-6,12H2,1-4H3
InChIKeyTYEROJTXKZJPBD-UHFFFAOYSA-N
XLogP3.20
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.46
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 diethoxy-methyl-(3-methyl-1-phenylazetidin-2-yl)silane?
The IUPAC name of diethoxy-methyl-(3-methyl-1-phenylazetidin-2-yl)silane (CID 21024220) is diethoxy-methyl-(3-methyl-1-phenylazetidin-2-yl)silane.
What is the SMILES notation for diethoxy-methyl-(3-methyl-1-phenylazetidin-2-yl)silane?
The canonical SMILES for diethoxy-methyl-(3-methyl-1-phenylazetidin-2-yl)silane is CCO[Si](C)(OCC)C1C(C)CN1c1ccccc1.
What is the InChIKey of diethoxy-methyl-(3-methyl-1-phenylazetidin-2-yl)silane?
The InChIKey is TYEROJTXKZJPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2Si/c1-5-17-19(4,18-6-2)15-13(3)12-16(15)14-10-8-7-9-11-14/h7-11,13,15H,5-6,12H2,1-4H3.
What are the key properties of diethoxy-methyl-(3-methyl-1-phenylazetidin-2-yl)silane?
diethoxy-methyl-(3-methyl-1-phenylazetidin-2-yl)silane has a molecular weight of 279.46 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-methyl-(3-methyl-1-phenylazetidin-2-yl)silane is sourced from PubChem (CID 21024220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).