3-methyl-3-propoxy-7-silylazepan-2-one

C10H21NO2Si — CID 123854409

IUPAC3-methyl-3-propoxy-7-silylazepan-2-one
SMILESCCCOC1(C)CCCC([SiH3])NC1=O
InChIInChI=1S/C10H21NO2Si/c1-3-7-13-10(2)6-4-5-8(14)11-9(10)12/h8H,3-7H2,1-2,14H3,(H,11,12)
InChIKeyXNZUWXAAAIOFLO-UHFFFAOYSA-N
MW215.37 g/mol
LogP0.16
Rot. Bonds3

About 3-methyl-3-propoxy-7-silylazepan-2-one

3-methyl-3-propoxy-7-silylazepan-2-one (PubChem CID 123854409) has the molecular formula C10H21NO2Si and a molecular weight of 215.37 g/mol. Its IUPAC name is 3-methyl-3-propoxy-7-silylazepan-2-one.

Molecular Properties

Compound Name3-methyl-3-propoxy-7-silylazepan-2-one
PubChem CID123854409
Molecular FormulaC10H21NO2Si
Molecular Weight215.37 g/mol
Exact Mass215.13
IUPAC Name3-methyl-3-propoxy-7-silylazepan-2-one
SMILESCCCOC1(C)CCCC([SiH3])NC1=O
InChIInChI=1S/C10H21NO2Si/c1-3-7-13-10(2)6-4-5-8(14)11-9(10)12/h8H,3-7H2,1-2,14H3,(H,11,12)
InChIKeyXNZUWXAAAIOFLO-UHFFFAOYSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 50.16
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-methyl-3-propoxy-7-silylazepan-2-one?
The IUPAC name of 3-methyl-3-propoxy-7-silylazepan-2-one (CID 123854409) is 3-methyl-3-propoxy-7-silylazepan-2-one.
What is the SMILES notation for 3-methyl-3-propoxy-7-silylazepan-2-one?
The canonical SMILES for 3-methyl-3-propoxy-7-silylazepan-2-one is CCCOC1(C)CCCC([SiH3])NC1=O.
What is the InChIKey of 3-methyl-3-propoxy-7-silylazepan-2-one?
The InChIKey is XNZUWXAAAIOFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2Si/c1-3-7-13-10(2)6-4-5-8(14)11-9(10)12/h8H,3-7H2,1-2,14H3,(H,11,12).
What are the key properties of 3-methyl-3-propoxy-7-silylazepan-2-one?
3-methyl-3-propoxy-7-silylazepan-2-one has a molecular weight of 215.37 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propoxy-7-silylazepan-2-one is sourced from PubChem (CID 123854409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).