tert-butyl-dimethyl-[(E)-7,7,7-trifluorohept-5-enoxy]silane

C13H25F3OSi — CID 71534606

IUPACtert-butyl-dimethyl-[(E)-7,7,7-trifluorohept-5-enoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCC/C=C/C(F)(F)F
InChIInChI=1S/C13H25F3OSi/c1-12(2,3)18(4,5)17-11-9-7-6-8-10-13(14,15)16/h8,10H,6-7,9,11H2,1-5H3/b10-8+
InChIKeyRMIINZJDTBLIJQ-CSKARUKUSA-N
MW282.42 g/mol
LogP5.30
Rot. Bonds6

About tert-butyl-dimethyl-[(E)-7,7,7-trifluorohept-5-enoxy]silane

tert-butyl-dimethyl-[(E)-7,7,7-trifluorohept-5-enoxy]silane (PubChem CID 71534606) has the molecular formula C13H25F3OSi and a molecular weight of 282.42 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-7,7,7-trifluorohept-5-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-7,7,7-trifluorohept-5-enoxy]silane
PubChem CID71534606
Molecular FormulaC13H25F3OSi
Molecular Weight282.42 g/mol
Exact Mass282.16
IUPAC Nametert-butyl-dimethyl-[(E)-7,7,7-trifluorohept-5-enoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCC/C=C/C(F)(F)F
InChIInChI=1S/C13H25F3OSi/c1-12(2,3)18(4,5)17-11-9-7-6-8-10-13(14,15)16/h8,10H,6-7,9,11H2,1-5H3/b10-8+
InChIKeyRMIINZJDTBLIJQ-CSKARUKUSA-N
XLogP5.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.42
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-7,7,7-trifluorohept-5-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-7,7,7-trifluorohept-5-enoxy]silane (CID 71534606) is tert-butyl-dimethyl-[(E)-7,7,7-trifluorohept-5-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-7,7,7-trifluorohept-5-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-7,7,7-trifluorohept-5-enoxy]silane is CC(C)(C)[Si](C)(C)OCCCC/C=C/C(F)(F)F.
What is the InChIKey of tert-butyl-dimethyl-[(E)-7,7,7-trifluorohept-5-enoxy]silane?
The InChIKey is RMIINZJDTBLIJQ-CSKARUKUSA-N. The full InChI is InChI=1S/C13H25F3OSi/c1-12(2,3)18(4,5)17-11-9-7-6-8-10-13(14,15)16/h8,10H,6-7,9,11H2,1-5H3/b10-8+.
What are the key properties of tert-butyl-dimethyl-[(E)-7,7,7-trifluorohept-5-enoxy]silane?
tert-butyl-dimethyl-[(E)-7,7,7-trifluorohept-5-enoxy]silane has a molecular weight of 282.42 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-7,7,7-trifluorohept-5-enoxy]silane is sourced from PubChem (CID 71534606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).