tert-butyl-dimethyl-[(Z,4R)-9,9,9-trifluoronon-6-en-4-yl]oxysilane

C15H29F3OSi — CID 161155158

IUPACtert-butyl-dimethyl-[(Z,4R)-9,9,9-trifluoronon-6-en-4-yl]oxysilane
SMILESCCC[C@H](C/C=C\CC(F)(F)F)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29F3OSi/c1-7-10-13(11-8-9-12-15(16,17)18)19-20(5,6)14(2,3)4/h8-9,13H,7,10-12H2,1-6H3/b9-8-/t13-/m1/s1
InChIKeyUPEVIHMSKRKMIG-LJTDUEICSA-N
MW310.48 g/mol
LogP6.08
Rot. Bonds7

About tert-butyl-dimethyl-[(Z,4R)-9,9,9-trifluoronon-6-en-4-yl]oxysilane

tert-butyl-dimethyl-[(Z,4R)-9,9,9-trifluoronon-6-en-4-yl]oxysilane (PubChem CID 161155158) has the molecular formula C15H29F3OSi and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z,4R)-9,9,9-trifluoronon-6-en-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z,4R)-9,9,9-trifluoronon-6-en-4-yl]oxysilane
PubChem CID161155158
Molecular FormulaC15H29F3OSi
Molecular Weight310.48 g/mol
Exact Mass310.19
IUPAC Nametert-butyl-dimethyl-[(Z,4R)-9,9,9-trifluoronon-6-en-4-yl]oxysilane
SMILESCCC[C@H](C/C=C\CC(F)(F)F)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29F3OSi/c1-7-10-13(11-8-9-12-15(16,17)18)19-20(5,6)14(2,3)4/h8-9,13H,7,10-12H2,1-6H3/b9-8-/t13-/m1/s1
InChIKeyUPEVIHMSKRKMIG-LJTDUEICSA-N
XLogP6.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 56.08
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-[(Z,4R)-9,9,9-trifluoronon-6-en-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(Z,4R)-9,9,9-trifluoronon-6-en-4-yl]oxysilane (CID 161155158) is tert-butyl-dimethyl-[(Z,4R)-9,9,9-trifluoronon-6-en-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z,4R)-9,9,9-trifluoronon-6-en-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(Z,4R)-9,9,9-trifluoronon-6-en-4-yl]oxysilane is CCC[C@H](C/C=C\CC(F)(F)F)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(Z,4R)-9,9,9-trifluoronon-6-en-4-yl]oxysilane?
The InChIKey is UPEVIHMSKRKMIG-LJTDUEICSA-N. The full InChI is InChI=1S/C15H29F3OSi/c1-7-10-13(11-8-9-12-15(16,17)18)19-20(5,6)14(2,3)4/h8-9,13H,7,10-12H2,1-6H3/b9-8-/t13-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(Z,4R)-9,9,9-trifluoronon-6-en-4-yl]oxysilane?
tert-butyl-dimethyl-[(Z,4R)-9,9,9-trifluoronon-6-en-4-yl]oxysilane has a molecular weight of 310.48 g/mol, XLogP of 6.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z,4R)-9,9,9-trifluoronon-6-en-4-yl]oxysilane is sourced from PubChem (CID 161155158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).