2-(7-oxo-8-trimethylsilyloxyoct-2-enyl)cyclopent-2-en-1-one

C16H26O3Si — CID 54250011

IUPAC2-(7-oxo-8-trimethylsilyloxyoct-2-enyl)cyclopent-2-en-1-one
SMILESC[Si](C)(C)OCC(=O)CCCC=CCC1=CCCC1=O
InChIInChI=1S/C16H26O3Si/c1-20(2,3)19-13-15(17)11-7-5-4-6-9-14-10-8-12-16(14)18/h4,6,10H,5,7-9,11-13H2,1-3H3
InChIKeyQWCAJNYRCBJRPP-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.81
Rot. Bonds9

About 2-(7-oxo-8-trimethylsilyloxyoct-2-enyl)cyclopent-2-en-1-one

2-(7-oxo-8-trimethylsilyloxyoct-2-enyl)cyclopent-2-en-1-one (PubChem CID 54250011) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is 2-(7-oxo-8-trimethylsilyloxyoct-2-enyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(7-oxo-8-trimethylsilyloxyoct-2-enyl)cyclopent-2-en-1-one
PubChem CID54250011
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Name2-(7-oxo-8-trimethylsilyloxyoct-2-enyl)cyclopent-2-en-1-one
SMILESC[Si](C)(C)OCC(=O)CCCC=CCC1=CCCC1=O
InChIInChI=1S/C16H26O3Si/c1-20(2,3)19-13-15(17)11-7-5-4-6-9-14-10-8-12-16(14)18/h4,6,10H,5,7-9,11-13H2,1-3H3
InChIKeyQWCAJNYRCBJRPP-UHFFFAOYSA-N
XLogP3.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(7-oxo-8-trimethylsilyloxyoct-2-enyl)cyclopent-2-en-1-one?
The IUPAC name of 2-(7-oxo-8-trimethylsilyloxyoct-2-enyl)cyclopent-2-en-1-one (CID 54250011) is 2-(7-oxo-8-trimethylsilyloxyoct-2-enyl)cyclopent-2-en-1-one.
What is the SMILES notation for 2-(7-oxo-8-trimethylsilyloxyoct-2-enyl)cyclopent-2-en-1-one?
The canonical SMILES for 2-(7-oxo-8-trimethylsilyloxyoct-2-enyl)cyclopent-2-en-1-one is C[Si](C)(C)OCC(=O)CCCC=CCC1=CCCC1=O.
What is the InChIKey of 2-(7-oxo-8-trimethylsilyloxyoct-2-enyl)cyclopent-2-en-1-one?
The InChIKey is QWCAJNYRCBJRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-20(2,3)19-13-15(17)11-7-5-4-6-9-14-10-8-12-16(14)18/h4,6,10H,5,7-9,11-13H2,1-3H3.
What are the key properties of 2-(7-oxo-8-trimethylsilyloxyoct-2-enyl)cyclopent-2-en-1-one?
2-(7-oxo-8-trimethylsilyloxyoct-2-enyl)cyclopent-2-en-1-one has a molecular weight of 294.47 g/mol, XLogP of 3.81, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxo-8-trimethylsilyloxyoct-2-enyl)cyclopent-2-en-1-one is sourced from PubChem (CID 54250011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).