[1-tert-butyl-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane

C15H25F3OSi — CID 173312887

IUPAC[1-tert-butyl-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESC=C1CC(O[SiH](C)C)(C(C)(C)C)C(C)=C1CC(F)(F)F
InChIInChI=1S/C15H25F3OSi/c1-10-8-14(13(3,4)5,19-20(6)7)11(2)12(10)9-15(16,17)18/h20H,1,8-9H2,2-7H3
InChIKeyIKOUFJXHVVJKIV-UHFFFAOYSA-N
MW306.44 g/mol
LogP5.00
Rot. Bonds3

About [1-tert-butyl-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane

[1-tert-butyl-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane (PubChem CID 173312887) has the molecular formula C15H25F3OSi and a molecular weight of 306.44 g/mol. Its IUPAC name is [1-tert-butyl-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Name[1-tert-butyl-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane
PubChem CID173312887
Molecular FormulaC15H25F3OSi
Molecular Weight306.44 g/mol
Exact Mass306.16
IUPAC Name[1-tert-butyl-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESC=C1CC(O[SiH](C)C)(C(C)(C)C)C(C)=C1CC(F)(F)F
InChIInChI=1S/C15H25F3OSi/c1-10-8-14(13(3,4)5,19-20(6)7)11(2)12(10)9-15(16,17)18/h20H,1,8-9H2,2-7H3
InChIKeyIKOUFJXHVVJKIV-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.44
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [1-tert-butyl-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of [1-tert-butyl-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane (CID 173312887) is [1-tert-butyl-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for [1-tert-butyl-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for [1-tert-butyl-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane is C=C1CC(O[SiH](C)C)(C(C)(C)C)C(C)=C1CC(F)(F)F.
What is the InChIKey of [1-tert-butyl-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is IKOUFJXHVVJKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3OSi/c1-10-8-14(13(3,4)5,19-20(6)7)11(2)12(10)9-15(16,17)18/h20H,1,8-9H2,2-7H3.
What are the key properties of [1-tert-butyl-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane?
[1-tert-butyl-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 306.44 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-tert-butyl-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 173312887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).