3-propan-2-yloxy-3-silylazepan-2-one

C9H19NO2Si — CID 123948321

IUPAC3-propan-2-yloxy-3-silylazepan-2-one
SMILESCC(C)OC1([SiH3])CCCCNC1=O
InChIInChI=1S/C9H19NO2Si/c1-7(2)12-9(13)5-3-4-6-10-8(9)11/h7H,3-6H2,1-2,13H3,(H,10,11)
InChIKeyDLJVRIWAXSVTMP-UHFFFAOYSA-N
MW201.34 g/mol
LogP-0.23
Rot. Bonds2

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

3-propan-2-yloxy-3-silylazepan-2-one (PubChem CID 123948321) has the molecular formula C9H19NO2Si and a molecular weight of 201.34 g/mol. Its IUPAC name is 3-propan-2-yloxy-3-silylazepan-2-one.

Molecular Properties

Compound Name3-propan-2-yloxy-3-silylazepan-2-one
PubChem CID123948321
Molecular FormulaC9H19NO2Si
Molecular Weight201.34 g/mol
Exact Mass201.12
IUPAC Name3-propan-2-yloxy-3-silylazepan-2-one
SMILESCC(C)OC1([SiH3])CCCCNC1=O
InChIInChI=1S/C9H19NO2Si/c1-7(2)12-9(13)5-3-4-6-10-8(9)11/h7H,3-6H2,1-2,13H3,(H,10,11)
InChIKeyDLJVRIWAXSVTMP-UHFFFAOYSA-N
XLogP-0.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-propan-2-yloxy-3-silylazepan-2-one?
The IUPAC name of 3-propan-2-yloxy-3-silylazepan-2-one (CID 123948321) is 3-propan-2-yloxy-3-silylazepan-2-one.
What is the SMILES notation for 3-propan-2-yloxy-3-silylazepan-2-one?
The canonical SMILES for 3-propan-2-yloxy-3-silylazepan-2-one is CC(C)OC1([SiH3])CCCCNC1=O.
What is the InChIKey of 3-propan-2-yloxy-3-silylazepan-2-one?
The InChIKey is DLJVRIWAXSVTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2Si/c1-7(2)12-9(13)5-3-4-6-10-8(9)11/h7H,3-6H2,1-2,13H3,(H,10,11).
What are the key properties of 3-propan-2-yloxy-3-silylazepan-2-one?
3-propan-2-yloxy-3-silylazepan-2-one has a molecular weight of 201.34 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-3-silylazepan-2-one is sourced from PubChem (CID 123948321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).