(1-benzyl-3-methylazetidin-2-yl)-diethoxy-methylsilane

C16H27NO2Si — CID 21024191

IUPAC(1-benzyl-3-methylazetidin-2-yl)-diethoxy-methylsilane
SMILESCCO[Si](C)(OCC)C1C(C)CN1Cc1ccccc1
InChIInChI=1S/C16H27NO2Si/c1-5-18-20(4,19-6-2)16-14(3)12-17(16)13-15-10-8-7-9-11-15/h7-11,14,16H,5-6,12-13H2,1-4H3
InChIKeyRMPYPWBXGUJDEL-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.19
Rot. Bonds7

About (1-benzyl-3-methylazetidin-2-yl)-diethoxy-methylsilane

(1-benzyl-3-methylazetidin-2-yl)-diethoxy-methylsilane (PubChem CID 21024191) has the molecular formula C16H27NO2Si and a molecular weight of 293.48 g/mol. Its IUPAC name is (1-benzyl-3-methylazetidin-2-yl)-diethoxy-methylsilane.

Molecular Properties

Compound Name(1-benzyl-3-methylazetidin-2-yl)-diethoxy-methylsilane
PubChem CID21024191
Molecular FormulaC16H27NO2Si
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name(1-benzyl-3-methylazetidin-2-yl)-diethoxy-methylsilane
SMILESCCO[Si](C)(OCC)C1C(C)CN1Cc1ccccc1
InChIInChI=1S/C16H27NO2Si/c1-5-18-20(4,19-6-2)16-14(3)12-17(16)13-15-10-8-7-9-11-15/h7-11,14,16H,5-6,12-13H2,1-4H3
InChIKeyRMPYPWBXGUJDEL-UHFFFAOYSA-N
XLogP3.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.19
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 (1-benzyl-3-methylazetidin-2-yl)-diethoxy-methylsilane?
The IUPAC name of (1-benzyl-3-methylazetidin-2-yl)-diethoxy-methylsilane (CID 21024191) is (1-benzyl-3-methylazetidin-2-yl)-diethoxy-methylsilane.
What is the SMILES notation for (1-benzyl-3-methylazetidin-2-yl)-diethoxy-methylsilane?
The canonical SMILES for (1-benzyl-3-methylazetidin-2-yl)-diethoxy-methylsilane is CCO[Si](C)(OCC)C1C(C)CN1Cc1ccccc1.
What is the InChIKey of (1-benzyl-3-methylazetidin-2-yl)-diethoxy-methylsilane?
The InChIKey is RMPYPWBXGUJDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2Si/c1-5-18-20(4,19-6-2)16-14(3)12-17(16)13-15-10-8-7-9-11-15/h7-11,14,16H,5-6,12-13H2,1-4H3.
What are the key properties of (1-benzyl-3-methylazetidin-2-yl)-diethoxy-methylsilane?
(1-benzyl-3-methylazetidin-2-yl)-diethoxy-methylsilane has a molecular weight of 293.48 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3-methylazetidin-2-yl)-diethoxy-methylsilane is sourced from PubChem (CID 21024191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).