4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2,2,2-trifluoroethyl)cyclopent-2-en-1-one

C14H23F3O2Si — CID 22908402

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2,2,2-trifluoroethyl)cyclopent-2-en-1-one
SMILESCC1=C(CC(F)(F)F)C(=O)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H23F3O2Si/c1-9-10(8-14(15,16)17)11(18)7-12(9)19-20(5,6)13(2,3)4/h12H,7-8H2,1-6H3
InChIKeyXZFKPWDVVQDZLH-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.62
Rot. Bonds3

About 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2,2,2-trifluoroethyl)cyclopent-2-en-1-one

4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2,2,2-trifluoroethyl)cyclopent-2-en-1-one (PubChem CID 22908402) has the molecular formula C14H23F3O2Si and a molecular weight of 308.42 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2,2,2-trifluoroethyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2,2,2-trifluoroethyl)cyclopent-2-en-1-one
PubChem CID22908402
Molecular FormulaC14H23F3O2Si
Molecular Weight308.42 g/mol
Exact Mass308.14
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2,2,2-trifluoroethyl)cyclopent-2-en-1-one
SMILESCC1=C(CC(F)(F)F)C(=O)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H23F3O2Si/c1-9-10(8-14(15,16)17)11(18)7-12(9)19-20(5,6)13(2,3)4/h12H,7-8H2,1-6H3
InChIKeyXZFKPWDVVQDZLH-UHFFFAOYSA-N
XLogP4.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.62
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-methyl-2-(2,2,2-trifluoroethyl)cyclopent-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2,2,2-trifluoroethyl)cyclopent-2-en-1-one (CID 22908402) is 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2,2,2-trifluoroethyl)cyclopent-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2,2,2-trifluoroethyl)cyclopent-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2,2,2-trifluoroethyl)cyclopent-2-en-1-one is CC1=C(CC(F)(F)F)C(=O)CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2,2,2-trifluoroethyl)cyclopent-2-en-1-one?
The InChIKey is XZFKPWDVVQDZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3O2Si/c1-9-10(8-14(15,16)17)11(18)7-12(9)19-20(5,6)13(2,3)4/h12H,7-8H2,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2,2,2-trifluoroethyl)cyclopent-2-en-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-(2,2,2-trifluoroethyl)cyclopent-2-en-1-one has a molecular weight of 308.42 g/mol, XLogP of 4.62, 3 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-methyl-2-(2,2,2-trifluoroethyl)cyclopent-2-en-1-one is sourced from PubChem (CID 22908402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).