8-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one

C13H27NO2Si2 — CID 71282598

IUPAC8-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one
SMILESC[Si]1(C)CC[Si](C)(C)N1C1CCCCCC(=O)O1
InChIInChI=1S/C13H27NO2Si2/c1-17(2)10-11-18(3,4)14(17)12-8-6-5-7-9-13(15)16-12/h12H,5-11H2,1-4H3
InChIKeyZCJVALYBZNPFJL-UHFFFAOYSA-N
MW285.54 g/mol
LogP3.55
Rot. Bonds1

About 8-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one

8-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one (PubChem CID 71282598) has the molecular formula C13H27NO2Si2 and a molecular weight of 285.54 g/mol. Its IUPAC name is 8-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one.

Molecular Properties

Compound Name8-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one
PubChem CID71282598
Molecular FormulaC13H27NO2Si2
Molecular Weight285.54 g/mol
Exact Mass285.16
IUPAC Name8-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one
SMILESC[Si]1(C)CC[Si](C)(C)N1C1CCCCCC(=O)O1
InChIInChI=1S/C13H27NO2Si2/c1-17(2)10-11-18(3,4)14(17)12-8-6-5-7-9-13(15)16-12/h12H,5-11H2,1-4H3
InChIKeyZCJVALYBZNPFJL-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one?
The IUPAC name of 8-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one (CID 71282598) is 8-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one.
What is the SMILES notation for 8-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one?
The canonical SMILES for 8-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one is C[Si]1(C)CC[Si](C)(C)N1C1CCCCCC(=O)O1.
What is the InChIKey of 8-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one?
The InChIKey is ZCJVALYBZNPFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2Si2/c1-17(2)10-11-18(3,4)14(17)12-8-6-5-7-9-13(15)16-12/h12H,5-11H2,1-4H3.
What are the key properties of 8-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one?
8-(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 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxocan-2-one is sourced from PubChem (CID 71282598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).