2-(6-oxo-7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one

C15H26O3Si — CID 54329444

IUPAC2-(6-oxo-7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one
SMILESC[Si](C)(C)OCC(=O)CCCCCC1=CCCC1=O
InChIInChI=1S/C15H26O3Si/c1-19(2,3)18-12-14(16)10-6-4-5-8-13-9-7-11-15(13)17/h9H,4-8,10-12H2,1-3H3
InChIKeySXHLTAFHKARNGG-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.65
Rot. Bonds9

About 2-(6-oxo-7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one

2-(6-oxo-7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one (PubChem CID 54329444) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is 2-(6-oxo-7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(6-oxo-7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one
PubChem CID54329444
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Name2-(6-oxo-7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one
SMILESC[Si](C)(C)OCC(=O)CCCCCC1=CCCC1=O
InChIInChI=1S/C15H26O3Si/c1-19(2,3)18-12-14(16)10-6-4-5-8-13-9-7-11-15(13)17/h9H,4-8,10-12H2,1-3H3
InChIKeySXHLTAFHKARNGG-UHFFFAOYSA-N
XLogP3.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.65
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one?
The IUPAC name of 2-(6-oxo-7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one (CID 54329444) is 2-(6-oxo-7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one.
What is the SMILES notation for 2-(6-oxo-7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one?
The canonical SMILES for 2-(6-oxo-7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one is C[Si](C)(C)OCC(=O)CCCCCC1=CCCC1=O.
What is the InChIKey of 2-(6-oxo-7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one?
The InChIKey is SXHLTAFHKARNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3Si/c1-19(2,3)18-12-14(16)10-6-4-5-8-13-9-7-11-15(13)17/h9H,4-8,10-12H2,1-3H3.
What are the key properties of 2-(6-oxo-7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one?
2-(6-oxo-7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one has a molecular weight of 282.46 g/mol, XLogP of 3.65, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-7-trimethylsilyloxyheptyl)cyclopent-2-en-1-one is sourced from PubChem (CID 54329444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).