4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxononyl)cyclopent-2-en-1-one

C20H36O3Si — CID 20700485

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxononyl)cyclopent-2-en-1-one
SMILESCCCCCCCC(=O)CC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C20H36O3Si/c1-7-8-9-10-11-12-17(21)13-16-14-18(15-19(16)22)23-24(5,6)20(2,3)4/h14,18H,7-13,15H2,1-6H3
InChIKeyGUPZOQIXGFUPSM-UHFFFAOYSA-N
MW352.59 g/mol
LogP5.60
Rot. Bonds10

About 4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxononyl)cyclopent-2-en-1-one

4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxononyl)cyclopent-2-en-1-one (PubChem CID 20700485) has the molecular formula C20H36O3Si and a molecular weight of 352.59 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxononyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxononyl)cyclopent-2-en-1-one
PubChem CID20700485
Molecular FormulaC20H36O3Si
Molecular Weight352.59 g/mol
Exact Mass352.24
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxononyl)cyclopent-2-en-1-one
SMILESCCCCCCCC(=O)CC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C20H36O3Si/c1-7-8-9-10-11-12-17(21)13-16-14-18(15-19(16)22)23-24(5,6)20(2,3)4/h14,18H,7-13,15H2,1-6H3
InChIKeyGUPZOQIXGFUPSM-UHFFFAOYSA-N
XLogP5.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.59
LogP ≤ 55.60
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'}

Analyze 4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxononyl)cyclopent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxononyl)cyclopent-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxononyl)cyclopent-2-en-1-one (CID 20700485) is 4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxononyl)cyclopent-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxononyl)cyclopent-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxononyl)cyclopent-2-en-1-one is CCCCCCCC(=O)CC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxononyl)cyclopent-2-en-1-one?
The InChIKey is GUPZOQIXGFUPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3Si/c1-7-8-9-10-11-12-17(21)13-16-14-18(15-19(16)22)23-24(5,6)20(2,3)4/h14,18H,7-13,15H2,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxononyl)cyclopent-2-en-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxononyl)cyclopent-2-en-1-one has a molecular weight of 352.59 g/mol, XLogP of 5.60, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxononyl)cyclopent-2-en-1-one is sourced from PubChem (CID 20700485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).