tert-butyl-[(2E,4Z)-5,6,6,7,7,8,8,9,9,10,10,10-dodecafluorodeca-2,4-dien-4-yl]oxy-dimethylsilane

C16H20F12OSi — CID 14968255

IUPACtert-butyl-[(2E,4Z)-5,6,6,7,7,8,8,9,9,10,10,10-dodecafluorodeca-2,4-dien-4-yl]oxy-dimethylsilane
SMILESC/C=C/C(O[Si](C)(C)C(C)(C)C)=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H20F12OSi/c1-7-8-9(29-30(5,6)11(2,3)4)10(17)12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)28/h7-8H,1-6H3/b8-7+,10-9-
InChIKeyMMXDKZBVZDEEDX-GOJKSUSPSA-N
MW484.40 g/mol
LogP7.87
Rot. Bonds7

About tert-butyl-[(2E,4Z)-5,6,6,7,7,8,8,9,9,10,10,10-dodecafluorodeca-2,4-dien-4-yl]oxy-dimethylsilane

tert-butyl-[(2E,4Z)-5,6,6,7,7,8,8,9,9,10,10,10-dodecafluorodeca-2,4-dien-4-yl]oxy-dimethylsilane (PubChem CID 14968255) has the molecular formula C16H20F12OSi and a molecular weight of 484.40 g/mol. Its IUPAC name is tert-butyl-[(2E,4Z)-5,6,6,7,7,8,8,9,9,10,10,10-dodecafluorodeca-2,4-dien-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E,4Z)-5,6,6,7,7,8,8,9,9,10,10,10-dodecafluorodeca-2,4-dien-4-yl]oxy-dimethylsilane
PubChem CID14968255
Molecular FormulaC16H20F12OSi
Molecular Weight484.40 g/mol
Exact Mass484.11
IUPAC Nametert-butyl-[(2E,4Z)-5,6,6,7,7,8,8,9,9,10,10,10-dodecafluorodeca-2,4-dien-4-yl]oxy-dimethylsilane
SMILESC/C=C/C(O[Si](C)(C)C(C)(C)C)=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H20F12OSi/c1-7-8-9(29-30(5,6)11(2,3)4)10(17)12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)28/h7-8H,1-6H3/b8-7+,10-9-
InChIKeyMMXDKZBVZDEEDX-GOJKSUSPSA-N
XLogP7.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.40
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E,4Z)-5,6,6,7,7,8,8,9,9,10,10,10-dodecafluorodeca-2,4-dien-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2E,4Z)-5,6,6,7,7,8,8,9,9,10,10,10-dodecafluorodeca-2,4-dien-4-yl]oxy-dimethylsilane (CID 14968255) is tert-butyl-[(2E,4Z)-5,6,6,7,7,8,8,9,9,10,10,10-dodecafluorodeca-2,4-dien-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E,4Z)-5,6,6,7,7,8,8,9,9,10,10,10-dodecafluorodeca-2,4-dien-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E,4Z)-5,6,6,7,7,8,8,9,9,10,10,10-dodecafluorodeca-2,4-dien-4-yl]oxy-dimethylsilane is C/C=C/C(O[Si](C)(C)C(C)(C)C)=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of tert-butyl-[(2E,4Z)-5,6,6,7,7,8,8,9,9,10,10,10-dodecafluorodeca-2,4-dien-4-yl]oxy-dimethylsilane?
The InChIKey is MMXDKZBVZDEEDX-GOJKSUSPSA-N. The full InChI is InChI=1S/C16H20F12OSi/c1-7-8-9(29-30(5,6)11(2,3)4)10(17)12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)28/h7-8H,1-6H3/b8-7+,10-9-.
What are the key properties of tert-butyl-[(2E,4Z)-5,6,6,7,7,8,8,9,9,10,10,10-dodecafluorodeca-2,4-dien-4-yl]oxy-dimethylsilane?
tert-butyl-[(2E,4Z)-5,6,6,7,7,8,8,9,9,10,10,10-dodecafluorodeca-2,4-dien-4-yl]oxy-dimethylsilane has a molecular weight of 484.40 g/mol, XLogP of 7.87, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E,4Z)-5,6,6,7,7,8,8,9,9,10,10,10-dodecafluorodeca-2,4-dien-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 14968255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).