2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidine

C17H29ClN2Si — CID 135007642

IUPAC2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidine
SMILESCC(C)(C)N1CCN(C(C)(C)C)[Si]1(Cl)Cc1ccccc1
InChIInChI=1S/C17H29ClN2Si/c1-16(2,3)19-12-13-20(17(4,5)6)21(19,18)14-15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3
InChIKeyLNGXQKNCYYDKTA-UHFFFAOYSA-N
MW324.97 g/mol
LogP4.16
Rot. Bonds2

About 2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidine

2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidine (PubChem CID 135007642) has the molecular formula C17H29ClN2Si and a molecular weight of 324.97 g/mol. Its IUPAC name is 2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidine.

Molecular Properties

Compound Name2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidine
PubChem CID135007642
Molecular FormulaC17H29ClN2Si
Molecular Weight324.97 g/mol
Exact Mass324.18
IUPAC Name2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidine
SMILESCC(C)(C)N1CCN(C(C)(C)C)[Si]1(Cl)Cc1ccccc1
InChIInChI=1S/C17H29ClN2Si/c1-16(2,3)19-12-13-20(17(4,5)6)21(19,18)14-15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3
InChIKeyLNGXQKNCYYDKTA-UHFFFAOYSA-N
XLogP4.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.97
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidine?
The IUPAC name of 2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidine (CID 135007642) is 2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidine.
What is the SMILES notation for 2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidine?
The canonical SMILES for 2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidine is CC(C)(C)N1CCN(C(C)(C)C)[Si]1(Cl)Cc1ccccc1.
What is the InChIKey of 2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidine?
The InChIKey is LNGXQKNCYYDKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2Si/c1-16(2,3)19-12-13-20(17(4,5)6)21(19,18)14-15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3.
What are the key properties of 2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidine?
2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidine has a molecular weight of 324.97 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidine is sourced from PubChem (CID 135007642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).