5-tri(propan-2-yl)silyloxy-1,3-diazinan-2-one

C13H28N2O2Si — CID 86703131

IUPAC5-tri(propan-2-yl)silyloxy-1,3-diazinan-2-one
SMILESCC(C)[Si](OC1CNC(=O)NC1)(C(C)C)C(C)C
InChIInChI=1S/C13H28N2O2Si/c1-9(2)18(10(3)4,11(5)6)17-12-7-14-13(16)15-8-12/h9-12H,7-8H2,1-6H3,(H2,14,15,16)
InChIKeyKENQGABQONATLK-UHFFFAOYSA-N
MW272.47 g/mol
LogP2.86
Rot. Bonds5

About 5-tri(propan-2-yl)silyloxy-1,3-diazinan-2-one

5-tri(propan-2-yl)silyloxy-1,3-diazinan-2-one (PubChem CID 86703131) has the molecular formula C13H28N2O2Si and a molecular weight of 272.47 g/mol. Its IUPAC name is 5-tri(propan-2-yl)silyloxy-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-tri(propan-2-yl)silyloxy-1,3-diazinan-2-one
PubChem CID86703131
Molecular FormulaC13H28N2O2Si
Molecular Weight272.47 g/mol
Exact Mass272.19
IUPAC Name5-tri(propan-2-yl)silyloxy-1,3-diazinan-2-one
SMILESCC(C)[Si](OC1CNC(=O)NC1)(C(C)C)C(C)C
InChIInChI=1S/C13H28N2O2Si/c1-9(2)18(10(3)4,11(5)6)17-12-7-14-13(16)15-8-12/h9-12H,7-8H2,1-6H3,(H2,14,15,16)
InChIKeyKENQGABQONATLK-UHFFFAOYSA-N
XLogP2.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-tri(propan-2-yl)silyloxy-1,3-diazinan-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 5-tri(propan-2-yl)silyloxy-1,3-diazinan-2-one?
The IUPAC name of 5-tri(propan-2-yl)silyloxy-1,3-diazinan-2-one (CID 86703131) is 5-tri(propan-2-yl)silyloxy-1,3-diazinan-2-one.
What is the SMILES notation for 5-tri(propan-2-yl)silyloxy-1,3-diazinan-2-one?
The canonical SMILES for 5-tri(propan-2-yl)silyloxy-1,3-diazinan-2-one is CC(C)[Si](OC1CNC(=O)NC1)(C(C)C)C(C)C.
What is the InChIKey of 5-tri(propan-2-yl)silyloxy-1,3-diazinan-2-one?
The InChIKey is KENQGABQONATLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2Si/c1-9(2)18(10(3)4,11(5)6)17-12-7-14-13(16)15-8-12/h9-12H,7-8H2,1-6H3,(H2,14,15,16).
What are the key properties of 5-tri(propan-2-yl)silyloxy-1,3-diazinan-2-one?
5-tri(propan-2-yl)silyloxy-1,3-diazinan-2-one has a molecular weight of 272.47 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tri(propan-2-yl)silyloxy-1,3-diazinan-2-one is sourced from PubChem (CID 86703131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).