tert-butyl-dimethyl-[(E)-4,4,4-trifluorobut-2-enoxy]silane

C10H19F3OSi — CID 177479403

IUPACtert-butyl-dimethyl-[(E)-4,4,4-trifluorobut-2-enoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C(F)(F)F
InChIInChI=1S/C10H19F3OSi/c1-9(2,3)15(4,5)14-8-6-7-10(11,12)13/h6-7H,8H2,1-5H3/b7-6+
InChIKeyQEHWXGSXSLJJBW-VOTSOKGWSA-N
MW240.34 g/mol
LogP4.13
Rot. Bonds3

About tert-butyl-dimethyl-[(E)-4,4,4-trifluorobut-2-enoxy]silane

tert-butyl-dimethyl-[(E)-4,4,4-trifluorobut-2-enoxy]silane (PubChem CID 177479403) has the molecular formula C10H19F3OSi and a molecular weight of 240.34 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-4,4,4-trifluorobut-2-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-4,4,4-trifluorobut-2-enoxy]silane
PubChem CID177479403
Molecular FormulaC10H19F3OSi
Molecular Weight240.34 g/mol
Exact Mass240.12
IUPAC Nametert-butyl-dimethyl-[(E)-4,4,4-trifluorobut-2-enoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C(F)(F)F
InChIInChI=1S/C10H19F3OSi/c1-9(2,3)15(4,5)14-8-6-7-10(11,12)13/h6-7H,8H2,1-5H3/b7-6+
InChIKeyQEHWXGSXSLJJBW-VOTSOKGWSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-4,4,4-trifluorobut-2-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-4,4,4-trifluorobut-2-enoxy]silane (CID 177479403) is tert-butyl-dimethyl-[(E)-4,4,4-trifluorobut-2-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-4,4,4-trifluorobut-2-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-4,4,4-trifluorobut-2-enoxy]silane is CC(C)(C)[Si](C)(C)OC/C=C/C(F)(F)F.
What is the InChIKey of tert-butyl-dimethyl-[(E)-4,4,4-trifluorobut-2-enoxy]silane?
The InChIKey is QEHWXGSXSLJJBW-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H19F3OSi/c1-9(2,3)15(4,5)14-8-6-7-10(11,12)13/h6-7H,8H2,1-5H3/b7-6+.
What are the key properties of tert-butyl-dimethyl-[(E)-4,4,4-trifluorobut-2-enoxy]silane?
tert-butyl-dimethyl-[(E)-4,4,4-trifluorobut-2-enoxy]silane has a molecular weight of 240.34 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-4,4,4-trifluorobut-2-enoxy]silane is sourced from PubChem (CID 177479403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).