5-[methyl(trimethylsilyl)amino]oxepan-2-one

C10H21NO2Si — CID 140663709

IUPAC5-[methyl(trimethylsilyl)amino]oxepan-2-one
SMILESCN(C1CCOC(=O)CC1)[Si](C)(C)C
InChIInChI=1S/C10H21NO2Si/c1-11(14(2,3)4)9-5-6-10(12)13-8-7-9/h9H,5-8H2,1-4H3
InChIKeyAJIVNYOFIWPSJA-UHFFFAOYSA-N
MW215.37 g/mol
LogP1.85
Rot. Bonds2

About 5-[methyl(trimethylsilyl)amino]oxepan-2-one

5-[methyl(trimethylsilyl)amino]oxepan-2-one (PubChem CID 140663709) has the molecular formula C10H21NO2Si and a molecular weight of 215.37 g/mol. Its IUPAC name is 5-[methyl(trimethylsilyl)amino]oxepan-2-one.

Molecular Properties

Compound Name5-[methyl(trimethylsilyl)amino]oxepan-2-one
PubChem CID140663709
Molecular FormulaC10H21NO2Si
Molecular Weight215.37 g/mol
Exact Mass215.13
IUPAC Name5-[methyl(trimethylsilyl)amino]oxepan-2-one
SMILESCN(C1CCOC(=O)CC1)[Si](C)(C)C
InChIInChI=1S/C10H21NO2Si/c1-11(14(2,3)4)9-5-6-10(12)13-8-7-9/h9H,5-8H2,1-4H3
InChIKeyAJIVNYOFIWPSJA-UHFFFAOYSA-N
XLogP1.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[bis(trimethylsilyl)amino]oxepan-2-one
CID 71282444
7-[methyl(trimethylsilyl)amino]oxocan-2-one
CID 140663772
(5R)-5-methyloxepan-2-one
CID 11434959
5-ethyloxepan-2-one
CID 11446392
(5S)-5-tert-butyloxepan-2-one
CID 13139227
(213C)oxolan-2-one
CID 175700736
14-propan-2-yl-oxacyclohexadecan-2-one
CID 123475189
1,6-dioxacyclopentadecane-7,15-dione;1,6-dioxecane-2,5-dione
CID 175398471
N-methyl-4-[[4-[methyl(trimethylsilyl)amino]cyclohexyl]methyl]-N-trimethylsilylcyclohexan-1-amine
CID 156776686
14-hydroxy-1,4,7,10-tetraoxacyclononadecane-11,19-dione
CID 23567721
(5R)-5-butyloxepan-2-one
CID 71354172
(5S)-5-butyloxepan-2-one
CID 100982091

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(trimethylsilyl)amino]oxepan-2-one?
The IUPAC name of 5-[methyl(trimethylsilyl)amino]oxepan-2-one (CID 140663709) is 5-[methyl(trimethylsilyl)amino]oxepan-2-one.
What is the SMILES notation for 5-[methyl(trimethylsilyl)amino]oxepan-2-one?
The canonical SMILES for 5-[methyl(trimethylsilyl)amino]oxepan-2-one is CN(C1CCOC(=O)CC1)[Si](C)(C)C.
What is the InChIKey of 5-[methyl(trimethylsilyl)amino]oxepan-2-one?
The InChIKey is AJIVNYOFIWPSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2Si/c1-11(14(2,3)4)9-5-6-10(12)13-8-7-9/h9H,5-8H2,1-4H3.
What are the key properties of 5-[methyl(trimethylsilyl)amino]oxepan-2-one?
5-[methyl(trimethylsilyl)amino]oxepan-2-one has a molecular weight of 215.37 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(trimethylsilyl)amino]oxepan-2-one is sourced from PubChem (CID 140663709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).