tert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxysilane

C15H25F3OSi — CID 67641003

IUPACtert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxysilane
SMILESC=C1C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C1CC(F)(F)F
InChIInChI=1S/C15H25F3OSi/c1-10-8-13(19-20(6,7)14(3,4)5)11(2)12(10)9-15(16,17)18/h13H,1,8-9H2,2-7H3/t13-/m0/s1
InChIKeyJEQRCXHDLAVWTJ-ZDUSSCGKSA-N
MW306.44 g/mol
LogP5.61
Rot. Bonds3

About tert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxysilane

tert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxysilane (PubChem CID 67641003) has the molecular formula C15H25F3OSi and a molecular weight of 306.44 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxysilane
PubChem CID67641003
Molecular FormulaC15H25F3OSi
Molecular Weight306.44 g/mol
Exact Mass306.16
IUPAC Nametert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxysilane
SMILESC=C1C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C1CC(F)(F)F
InChIInChI=1S/C15H25F3OSi/c1-10-8-13(19-20(6,7)14(3,4)5)11(2)12(10)9-15(16,17)18/h13H,1,8-9H2,2-7H3/t13-/m0/s1
InChIKeyJEQRCXHDLAVWTJ-ZDUSSCGKSA-N
XLogP5.61
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 ≤ 55.61
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 tert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxysilane (CID 67641003) is tert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxysilane is C=C1C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C1CC(F)(F)F.
What is the InChIKey of tert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxysilane?
The InChIKey is JEQRCXHDLAVWTJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25F3OSi/c1-10-8-13(19-20(6,7)14(3,4)5)11(2)12(10)9-15(16,17)18/h13H,1,8-9H2,2-7H3/t13-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxysilane?
tert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxysilane has a molecular weight of 306.44 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxysilane is sourced from PubChem (CID 67641003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).