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

C12H27NO2Si2 — CID 140663744

IUPAC3-[bis(trimethylsilyl)amino]oxepan-2-one
SMILESC[Si](C)(C)N(C1CCCCOC1=O)[Si](C)(C)C
InChIInChI=1S/C12H27NO2Si2/c1-16(2,3)13(17(4,5)6)11-9-7-8-10-15-12(11)14/h11H,7-10H2,1-6H3
InChIKeyCFZLQMODPPPRPK-UHFFFAOYSA-N
MW273.53 g/mol
LogP3.05
Rot. Bonds3

About 3-[bis(trimethylsilyl)amino]oxepan-2-one

3-[bis(trimethylsilyl)amino]oxepan-2-one (PubChem CID 140663744) has the molecular formula C12H27NO2Si2 and a molecular weight of 273.53 g/mol. Its IUPAC name is 3-[bis(trimethylsilyl)amino]oxepan-2-one.

Molecular Properties

Compound Name3-[bis(trimethylsilyl)amino]oxepan-2-one
PubChem CID140663744
Molecular FormulaC12H27NO2Si2
Molecular Weight273.53 g/mol
Exact Mass273.16
IUPAC Name3-[bis(trimethylsilyl)amino]oxepan-2-one
SMILESC[Si](C)(C)N(C1CCCCOC1=O)[Si](C)(C)C
InChIInChI=1S/C12H27NO2Si2/c1-16(2,3)13(17(4,5)6)11-9-7-8-10-15-12(11)14/h11H,7-10H2,1-6H3
InChIKeyCFZLQMODPPPRPK-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 ≤ 500273.53
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 3-[bis(trimethylsilyl)amino]oxepan-2-one?
The IUPAC name of 3-[bis(trimethylsilyl)amino]oxepan-2-one (CID 140663744) is 3-[bis(trimethylsilyl)amino]oxepan-2-one.
What is the SMILES notation for 3-[bis(trimethylsilyl)amino]oxepan-2-one?
The canonical SMILES for 3-[bis(trimethylsilyl)amino]oxepan-2-one is C[Si](C)(C)N(C1CCCCOC1=O)[Si](C)(C)C.
What is the InChIKey of 3-[bis(trimethylsilyl)amino]oxepan-2-one?
The InChIKey is CFZLQMODPPPRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2Si2/c1-16(2,3)13(17(4,5)6)11-9-7-8-10-15-12(11)14/h11H,7-10H2,1-6H3.
What are the key properties of 3-[bis(trimethylsilyl)amino]oxepan-2-one?
3-[bis(trimethylsilyl)amino]oxepan-2-one has a molecular weight of 273.53 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 3-[bis(trimethylsilyl)amino]oxepan-2-one is sourced from PubChem (CID 140663744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).