2-(8-oxo-9-trimethylsilyloxynon-2-enyl)cyclopent-2-en-1-one

C17H28O3Si — CID 54488360

IUPAC2-(8-oxo-9-trimethylsilyloxynon-2-enyl)cyclopent-2-en-1-one
SMILESC[Si](C)(C)OCC(=O)CCCCC=CCC1=CCCC1=O
InChIInChI=1S/C17H28O3Si/c1-21(2,3)20-14-16(18)12-8-6-4-5-7-10-15-11-9-13-17(15)19/h5,7,11H,4,6,8-10,12-14H2,1-3H3
InChIKeyXTYXTLMKPVIGRV-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.20
Rot. Bonds10

About 2-(8-oxo-9-trimethylsilyloxynon-2-enyl)cyclopent-2-en-1-one

2-(8-oxo-9-trimethylsilyloxynon-2-enyl)cyclopent-2-en-1-one (PubChem CID 54488360) has the molecular formula C17H28O3Si and a molecular weight of 308.49 g/mol. Its IUPAC name is 2-(8-oxo-9-trimethylsilyloxynon-2-enyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(8-oxo-9-trimethylsilyloxynon-2-enyl)cyclopent-2-en-1-one
PubChem CID54488360
Molecular FormulaC17H28O3Si
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Name2-(8-oxo-9-trimethylsilyloxynon-2-enyl)cyclopent-2-en-1-one
SMILESC[Si](C)(C)OCC(=O)CCCCC=CCC1=CCCC1=O
InChIInChI=1S/C17H28O3Si/c1-21(2,3)20-14-16(18)12-8-6-4-5-7-10-15-11-9-13-17(15)19/h5,7,11H,4,6,8-10,12-14H2,1-3H3
InChIKeyXTYXTLMKPVIGRV-UHFFFAOYSA-N
XLogP4.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.20
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-(8-oxo-9-trimethylsilyloxynon-2-enyl)cyclopent-2-en-1-one?
The IUPAC name of 2-(8-oxo-9-trimethylsilyloxynon-2-enyl)cyclopent-2-en-1-one (CID 54488360) is 2-(8-oxo-9-trimethylsilyloxynon-2-enyl)cyclopent-2-en-1-one.
What is the SMILES notation for 2-(8-oxo-9-trimethylsilyloxynon-2-enyl)cyclopent-2-en-1-one?
The canonical SMILES for 2-(8-oxo-9-trimethylsilyloxynon-2-enyl)cyclopent-2-en-1-one is C[Si](C)(C)OCC(=O)CCCCC=CCC1=CCCC1=O.
What is the InChIKey of 2-(8-oxo-9-trimethylsilyloxynon-2-enyl)cyclopent-2-en-1-one?
The InChIKey is XTYXTLMKPVIGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3Si/c1-21(2,3)20-14-16(18)12-8-6-4-5-7-10-15-11-9-13-17(15)19/h5,7,11H,4,6,8-10,12-14H2,1-3H3.
What are the key properties of 2-(8-oxo-9-trimethylsilyloxynon-2-enyl)cyclopent-2-en-1-one?
2-(8-oxo-9-trimethylsilyloxynon-2-enyl)cyclopent-2-en-1-one has a molecular weight of 308.49 g/mol, XLogP of 4.20, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxo-9-trimethylsilyloxynon-2-enyl)cyclopent-2-en-1-one is sourced from PubChem (CID 54488360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).