6-oxo-N-trimethylsilyl-4-trimethylsilyloxyhept-4-enamide

C13H27NO3Si2 — CID 90744370

IUPAC6-oxo-N-trimethylsilyl-4-trimethylsilyloxyhept-4-enamide
SMILESCC(=O)C=C(CCC(=O)N[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H27NO3Si2/c1-11(15)10-12(17-19(5,6)7)8-9-13(16)14-18(2,3)4/h10H,8-9H2,1-7H3,(H,14,16)
InChIKeySKYLNDWSVFKMLA-UHFFFAOYSA-N
MW301.54 g/mol
LogP3.04
Rot. Bonds7

About 6-oxo-N-trimethylsilyl-4-trimethylsilyloxyhept-4-enamide

6-oxo-N-trimethylsilyl-4-trimethylsilyloxyhept-4-enamide (PubChem CID 90744370) has the molecular formula C13H27NO3Si2 and a molecular weight of 301.54 g/mol. Its IUPAC name is 6-oxo-N-trimethylsilyl-4-trimethylsilyloxyhept-4-enamide.

Molecular Properties

Compound Name6-oxo-N-trimethylsilyl-4-trimethylsilyloxyhept-4-enamide
PubChem CID90744370
Molecular FormulaC13H27NO3Si2
Molecular Weight301.54 g/mol
Exact Mass301.15
IUPAC Name6-oxo-N-trimethylsilyl-4-trimethylsilyloxyhept-4-enamide
SMILESCC(=O)C=C(CCC(=O)N[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H27NO3Si2/c1-11(15)10-12(17-19(5,6)7)8-9-13(16)14-18(2,3)4/h10H,8-9H2,1-7H3,(H,14,16)
InChIKeySKYLNDWSVFKMLA-UHFFFAOYSA-N
XLogP3.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.54
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-trimethylsilyl-4-trimethylsilyloxyhept-4-enamide?
The IUPAC name of 6-oxo-N-trimethylsilyl-4-trimethylsilyloxyhept-4-enamide (CID 90744370) is 6-oxo-N-trimethylsilyl-4-trimethylsilyloxyhept-4-enamide.
What is the SMILES notation for 6-oxo-N-trimethylsilyl-4-trimethylsilyloxyhept-4-enamide?
The canonical SMILES for 6-oxo-N-trimethylsilyl-4-trimethylsilyloxyhept-4-enamide is CC(=O)C=C(CCC(=O)N[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 6-oxo-N-trimethylsilyl-4-trimethylsilyloxyhept-4-enamide?
The InChIKey is SKYLNDWSVFKMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3Si2/c1-11(15)10-12(17-19(5,6)7)8-9-13(16)14-18(2,3)4/h10H,8-9H2,1-7H3,(H,14,16).
What are the key properties of 6-oxo-N-trimethylsilyl-4-trimethylsilyloxyhept-4-enamide?
6-oxo-N-trimethylsilyl-4-trimethylsilyloxyhept-4-enamide has a molecular weight of 301.54 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-trimethylsilyl-4-trimethylsilyloxyhept-4-enamide is sourced from PubChem (CID 90744370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).