4-triethylsilyloxycyclopent-2-en-1-one

C11H20O2Si — CID 21102327

IUPAC4-triethylsilyloxycyclopent-2-en-1-one
SMILESCC[Si](CC)(CC)OC1C=CC(=O)C1
InChIInChI=1S/C11H20O2Si/c1-4-14(5-2,6-3)13-11-8-7-10(12)9-11/h7-8,11H,4-6,9H2,1-3H3
InChIKeyFDOHCJHRMXFWKP-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.91
Rot. Bonds5

About 4-triethylsilyloxycyclopent-2-en-1-one

4-triethylsilyloxycyclopent-2-en-1-one (PubChem CID 21102327) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is 4-triethylsilyloxycyclopent-2-en-1-one.

Molecular Properties

Compound Name4-triethylsilyloxycyclopent-2-en-1-one
PubChem CID21102327
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name4-triethylsilyloxycyclopent-2-en-1-one
SMILESCC[Si](CC)(CC)OC1C=CC(=O)C1
InChIInChI=1S/C11H20O2Si/c1-4-14(5-2,6-3)13-11-8-7-10(12)9-11/h7-8,11H,4-6,9H2,1-3H3
InChIKeyFDOHCJHRMXFWKP-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-triethylsilyloxycyclopent-2-en-1-one?
The IUPAC name of 4-triethylsilyloxycyclopent-2-en-1-one (CID 21102327) is 4-triethylsilyloxycyclopent-2-en-1-one.
What is the SMILES notation for 4-triethylsilyloxycyclopent-2-en-1-one?
The canonical SMILES for 4-triethylsilyloxycyclopent-2-en-1-one is CC[Si](CC)(CC)OC1C=CC(=O)C1.
What is the InChIKey of 4-triethylsilyloxycyclopent-2-en-1-one?
The InChIKey is FDOHCJHRMXFWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-4-14(5-2,6-3)13-11-8-7-10(12)9-11/h7-8,11H,4-6,9H2,1-3H3.
What are the key properties of 4-triethylsilyloxycyclopent-2-en-1-one?
4-triethylsilyloxycyclopent-2-en-1-one has a molecular weight of 212.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triethylsilyloxycyclopent-2-en-1-one is sourced from PubChem (CID 21102327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).