trimethyl-[(2E,4Z)-1,1,1-trifluoro-6-phenyl-4-trimethylsilyloxyhexa-2,4-dien-2-yl]oxysilane

C18H27F3O2Si2 — CID 177391977

IUPACtrimethyl-[(2E,4Z)-1,1,1-trifluoro-6-phenyl-4-trimethylsilyloxyhexa-2,4-dien-2-yl]oxysilane
SMILESC[Si](C)(C)OC(=C\Cc1ccccc1)/C=C(/O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C18H27F3O2Si2/c1-24(2,3)22-16(13-12-15-10-8-7-9-11-15)14-17(18(19,20)21)23-25(4,5)6/h7-11,13-14H,12H2,1-6H3/b16-13-,17-14+
InChIKeyGCYBLRJHVMGVOO-FEUFJANWSA-N
MW388.58 g/mol
LogP6.26
Rot. Bonds7

About trimethyl-[(2E,4Z)-1,1,1-trifluoro-6-phenyl-4-trimethylsilyloxyhexa-2,4-dien-2-yl]oxysilane

trimethyl-[(2E,4Z)-1,1,1-trifluoro-6-phenyl-4-trimethylsilyloxyhexa-2,4-dien-2-yl]oxysilane (PubChem CID 177391977) has the molecular formula C18H27F3O2Si2 and a molecular weight of 388.58 g/mol. Its IUPAC name is trimethyl-[(2E,4Z)-1,1,1-trifluoro-6-phenyl-4-trimethylsilyloxyhexa-2,4-dien-2-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(2E,4Z)-1,1,1-trifluoro-6-phenyl-4-trimethylsilyloxyhexa-2,4-dien-2-yl]oxysilane
PubChem CID177391977
Molecular FormulaC18H27F3O2Si2
Molecular Weight388.58 g/mol
Exact Mass388.15
IUPAC Nametrimethyl-[(2E,4Z)-1,1,1-trifluoro-6-phenyl-4-trimethylsilyloxyhexa-2,4-dien-2-yl]oxysilane
SMILESC[Si](C)(C)OC(=C\Cc1ccccc1)/C=C(/O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C18H27F3O2Si2/c1-24(2,3)22-16(13-12-15-10-8-7-9-11-15)14-17(18(19,20)21)23-25(4,5)6/h7-11,13-14H,12H2,1-6H3/b16-13-,17-14+
InChIKeyGCYBLRJHVMGVOO-FEUFJANWSA-N
XLogP6.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.58
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]-3-phenylprop-1-enoxy]silane
CID 71271588
[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]benzene
CID 175788852
triphenyl-[(Z)-4-phenylbut-2-en-2-yl]oxysilane
CID 101425357
[(1Z)-3,3-dimethyl-1-phenylmethoxypenta-1,4-dien-2-yl]oxy-trimethylsilane
CID 46899660
[(3Z)-5-phenylpenta-1,3-dien-3-yl]oxy-tri(propan-2-yl)silane
CID 164887906
3-(4-phenylbut-2-en-2-yloxy)but-2-enylbenzene
CID 141019817
actinium;(Z)-4-phenylbut-2-en-2-ol
CID 22892787
trimethyl-[(1E,3Z)-2-methyl-1-phenylmethoxypenta-1,3-dien-3-yl]oxysilane
CID 10934722
[(Z)-3-iodobut-2-enyl]benzene
CID 166908870
trimethyl-[(1Z,3E)-4-[(2-methylpropan-2-yl)oxy]-1-phenylmethoxybuta-1,3-dien-2-yl]oxysilane
CID 11484052
methyl (E)-2-methoxy-4-phenylbut-2-enoate
CID 11171761
3,3-diethoxyprop-2-enylbenzene
CID 68782187

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2E,4Z)-1,1,1-trifluoro-6-phenyl-4-trimethylsilyloxyhexa-2,4-dien-2-yl]oxysilane?
The IUPAC name of trimethyl-[(2E,4Z)-1,1,1-trifluoro-6-phenyl-4-trimethylsilyloxyhexa-2,4-dien-2-yl]oxysilane (CID 177391977) is trimethyl-[(2E,4Z)-1,1,1-trifluoro-6-phenyl-4-trimethylsilyloxyhexa-2,4-dien-2-yl]oxysilane.
What is the SMILES notation for trimethyl-[(2E,4Z)-1,1,1-trifluoro-6-phenyl-4-trimethylsilyloxyhexa-2,4-dien-2-yl]oxysilane?
The canonical SMILES for trimethyl-[(2E,4Z)-1,1,1-trifluoro-6-phenyl-4-trimethylsilyloxyhexa-2,4-dien-2-yl]oxysilane is C[Si](C)(C)OC(=C\Cc1ccccc1)/C=C(/O[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of trimethyl-[(2E,4Z)-1,1,1-trifluoro-6-phenyl-4-trimethylsilyloxyhexa-2,4-dien-2-yl]oxysilane?
The InChIKey is GCYBLRJHVMGVOO-FEUFJANWSA-N. The full InChI is InChI=1S/C18H27F3O2Si2/c1-24(2,3)22-16(13-12-15-10-8-7-9-11-15)14-17(18(19,20)21)23-25(4,5)6/h7-11,13-14H,12H2,1-6H3/b16-13-,17-14+.
What are the key properties of trimethyl-[(2E,4Z)-1,1,1-trifluoro-6-phenyl-4-trimethylsilyloxyhexa-2,4-dien-2-yl]oxysilane?
trimethyl-[(2E,4Z)-1,1,1-trifluoro-6-phenyl-4-trimethylsilyloxyhexa-2,4-dien-2-yl]oxysilane has a molecular weight of 388.58 g/mol, XLogP of 6.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2E,4Z)-1,1,1-trifluoro-6-phenyl-4-trimethylsilyloxyhexa-2,4-dien-2-yl]oxysilane is sourced from PubChem (CID 177391977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).