3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one

C13H27NO2Si2 — CID 71285581

IUPAC3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one
SMILESC[Si]1(C)CC[Si](C)(C)N1C1CCCCCOC1=O
InChIInChI=1S/C13H27NO2Si2/c1-17(2)10-11-18(3,4)14(17)12-8-6-5-7-9-16-13(12)15/h12H,5-11H2,1-4H3
InChIKeyFZCRTCDSHZRQFZ-UHFFFAOYSA-N
MW285.54 g/mol
LogP3.20
Rot. Bonds1

About 3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one

3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one (PubChem CID 71285581) has the molecular formula C13H27NO2Si2 and a molecular weight of 285.54 g/mol. Its IUPAC name is 3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one.

Molecular Properties

Compound Name3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one
PubChem CID71285581
Molecular FormulaC13H27NO2Si2
Molecular Weight285.54 g/mol
Exact Mass285.16
IUPAC Name3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one
SMILESC[Si]1(C)CC[Si](C)(C)N1C1CCCCCOC1=O
InChIInChI=1S/C13H27NO2Si2/c1-17(2)10-11-18(3,4)14(17)12-8-6-5-7-9-16-13(12)15/h12H,5-11H2,1-4H3
InChIKeyFZCRTCDSHZRQFZ-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.54
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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Related Compounds

7-(2,2-Dimethylazasilolidin-1-yl)oxocan-2-one
CID 71282517
3-(2,2-Dimethylazasilolidin-1-yl)oxocan-2-one
CID 71282581
8-(2,2,5,5-Tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one
CID 71282598
7-(2,2,5,5-Tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one
CID 71285276
3-(2,2,5,5-Tetramethyl-1,2,5-azadisilolidin-1-yl)oxonan-2-one
CID 71285346
3-(2,2,5,5-Tetramethyl-1,2,5-azadisilolidin-1-yl)oxepan-2-one
CID 71285534
7-(2,2,5,5-Tetramethyl-1,2,5-azadisilolidin-1-yl)oxecan-2-one
CID 71285572
3-[Bis(trimethylsilyl)amino]oxocan-2-one
CID 140663670
7-[Bis(trimethylsilyl)amino]oxocan-2-one
CID 140663679
4-(2,2,5,5-Tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one
CID 140663698
6-(2,2,5,5-Tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one
CID 140663730
5-(2,2,5,5-Tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one
CID 140663771

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one?
The IUPAC name of 3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one (CID 71285581) is 3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one.
What is the SMILES notation for 3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one?
The canonical SMILES for 3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one is C[Si]1(C)CC[Si](C)(C)N1C1CCCCCOC1=O.
What is the InChIKey of 3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one?
The InChIKey is FZCRTCDSHZRQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2Si2/c1-17(2)10-11-18(3,4)14(17)12-8-6-5-7-9-16-13(12)15/h12H,5-11H2,1-4H3.
What are the key properties of 3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one?
3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one has a molecular weight of 285.54 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one is sourced from PubChem (CID 71285581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).