4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclopent-2-en-1-one

C11H19FO2Si — CID 14177367

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CC(=O)C=C1F
InChIInChI=1S/C11H19FO2Si/c1-11(2,3)15(4,5)14-10-7-8(13)6-9(10)12/h6,10H,7H2,1-5H3
InChIKeyGMNGVNMSSKOIHS-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.20
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclopent-2-en-1-one

4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclopent-2-en-1-one (PubChem CID 14177367) has the molecular formula C11H19FO2Si and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclopent-2-en-1-one
PubChem CID14177367
Molecular FormulaC11H19FO2Si
Molecular Weight230.35 g/mol
Exact Mass230.11
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CC(=O)C=C1F
InChIInChI=1S/C11H19FO2Si/c1-11(2,3)15(4,5)14-10-7-8(13)6-9(10)12/h6,10H,7H2,1-5H3
InChIKeyGMNGVNMSSKOIHS-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.20
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-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclopent-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclopent-2-en-1-one (CID 14177367) is 4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclopent-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclopent-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)OC1CC(=O)C=C1F.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclopent-2-en-1-one?
The InChIKey is GMNGVNMSSKOIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO2Si/c1-11(2,3)15(4,5)14-10-7-8(13)6-9(10)12/h6,10H,7H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclopent-2-en-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclopent-2-en-1-one has a molecular weight of 230.35 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclopent-2-en-1-one is sourced from PubChem (CID 14177367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).