azepan-2-one;3-propan-2-yloxy-3-silylazepan-2-one

C15H30N2O3Si — CID 173424279

IUPACazepan-2-one;3-propan-2-yloxy-3-silylazepan-2-one
SMILESCC(C)OC1([SiH3])CCCCNC1=O.O=C1CCCCCN1
InChIInChI=1S/C9H19NO2Si.C6H11NO/c1-7(2)12-9(13)5-3-4-6-10-8(9)11;8-6-4-2-1-3-5-7-6/h7H,3-6H2,1-2,13H3,(H,10,11);1-5H2,(H,7,8)
InChIKeyWWKBYVGFYPATCD-UHFFFAOYSA-N
MW314.50 g/mol
LogP0.45
Rot. Bonds2

About azepan-2-one;3-propan-2-yloxy-3-silylazepan-2-one

azepan-2-one;3-propan-2-yloxy-3-silylazepan-2-one (PubChem CID 173424279) has the molecular formula C15H30N2O3Si and a molecular weight of 314.50 g/mol. Its IUPAC name is azepan-2-one;3-propan-2-yloxy-3-silylazepan-2-one.

Molecular Properties

Compound Nameazepan-2-one;3-propan-2-yloxy-3-silylazepan-2-one
PubChem CID173424279
Molecular FormulaC15H30N2O3Si
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC Nameazepan-2-one;3-propan-2-yloxy-3-silylazepan-2-one
SMILESCC(C)OC1([SiH3])CCCCNC1=O.O=C1CCCCCN1
InChIInChI=1S/C9H19NO2Si.C6H11NO/c1-7(2)12-9(13)5-3-4-6-10-8(9)11;8-6-4-2-1-3-5-7-6/h7H,3-6H2,1-2,13H3,(H,10,11);1-5H2,(H,7,8)
InChIKeyWWKBYVGFYPATCD-UHFFFAOYSA-N
XLogP0.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 50.45
H-Bond Donors ≤ 52
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 azepan-2-one;3-propan-2-yloxy-3-silylazepan-2-one?
The IUPAC name of azepan-2-one;3-propan-2-yloxy-3-silylazepan-2-one (CID 173424279) is azepan-2-one;3-propan-2-yloxy-3-silylazepan-2-one.
What is the SMILES notation for azepan-2-one;3-propan-2-yloxy-3-silylazepan-2-one?
The canonical SMILES for azepan-2-one;3-propan-2-yloxy-3-silylazepan-2-one is CC(C)OC1([SiH3])CCCCNC1=O.O=C1CCCCCN1.
What is the InChIKey of azepan-2-one;3-propan-2-yloxy-3-silylazepan-2-one?
The InChIKey is WWKBYVGFYPATCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2Si.C6H11NO/c1-7(2)12-9(13)5-3-4-6-10-8(9)11;8-6-4-2-1-3-5-7-6/h7H,3-6H2,1-2,13H3,(H,10,11);1-5H2,(H,7,8).
What are the key properties of azepan-2-one;3-propan-2-yloxy-3-silylazepan-2-one?
azepan-2-one;3-propan-2-yloxy-3-silylazepan-2-one has a molecular weight of 314.50 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-one;3-propan-2-yloxy-3-silylazepan-2-one is sourced from PubChem (CID 173424279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).