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

C12H27NO2Si2 — CID 71282444

IUPAC5-[bis(trimethylsilyl)amino]oxepan-2-one
SMILESC[Si](C)(C)N(C1CCOC(=O)CC1)[Si](C)(C)C
InChIInChI=1S/C12H27NO2Si2/c1-16(2,3)13(17(4,5)6)11-7-8-12(14)15-10-9-11/h11H,7-10H2,1-6H3
InChIKeyTURDJYMKPCDYTQ-UHFFFAOYSA-N
MW273.52 g/mol
LogP3.05
Rot. Bonds3

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

5-[bis(trimethylsilyl)amino]oxepan-2-one (PubChem CID 71282444) has the molecular formula C12H27NO2Si2 and a molecular weight of 273.52 g/mol. Its IUPAC name is 5-[bis(trimethylsilyl)amino]oxepan-2-one.

Molecular Properties

Compound Name5-[bis(trimethylsilyl)amino]oxepan-2-one
PubChem CID71282444
Molecular FormulaC12H27NO2Si2
Molecular Weight273.52 g/mol
Exact Mass273.16
IUPAC Name5-[bis(trimethylsilyl)amino]oxepan-2-one
SMILESC[Si](C)(C)N(C1CCOC(=O)CC1)[Si](C)(C)C
InChIInChI=1S/C12H27NO2Si2/c1-16(2,3)13(17(4,5)6)11-7-8-12(14)15-10-9-11/h11H,7-10H2,1-6H3
InChIKeyTURDJYMKPCDYTQ-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.52
LogP ≤ 53.05
H-Bond Donors ≤ 50
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 5-[bis(trimethylsilyl)amino]oxepan-2-one?
The IUPAC name of 5-[bis(trimethylsilyl)amino]oxepan-2-one (CID 71282444) is 5-[bis(trimethylsilyl)amino]oxepan-2-one.
What is the SMILES notation for 5-[bis(trimethylsilyl)amino]oxepan-2-one?
The canonical SMILES for 5-[bis(trimethylsilyl)amino]oxepan-2-one is C[Si](C)(C)N(C1CCOC(=O)CC1)[Si](C)(C)C.
What is the InChIKey of 5-[bis(trimethylsilyl)amino]oxepan-2-one?
The InChIKey is TURDJYMKPCDYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2Si2/c1-16(2,3)13(17(4,5)6)11-7-8-12(14)15-10-9-11/h11H,7-10H2,1-6H3.
What are the key properties of 5-[bis(trimethylsilyl)amino]oxepan-2-one?
5-[bis(trimethylsilyl)amino]oxepan-2-one has a molecular weight of 273.52 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(trimethylsilyl)amino]oxepan-2-one is sourced from PubChem (CID 71282444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).