[(1E,5E)-3,3-difluoro-6-phenyl-4-phenylmethoxyhexa-1,5-dienyl]-trimethylsilane

C22H26F2OSi — CID 100950780

IUPAC[(1E,5E)-3,3-difluoro-6-phenyl-4-phenylmethoxyhexa-1,5-dienyl]-trimethylsilane
SMILESC[Si](C)(C)/C=C/C(F)(F)C(/C=C/c1ccccc1)OCc1ccccc1
InChIInChI=1S/C22H26F2OSi/c1-26(2,3)17-16-22(23,24)21(15-14-19-10-6-4-7-11-19)25-18-20-12-8-5-9-13-20/h4-17,21H,18H2,1-3H3/b15-14+,17-16+
InChIKeyQEMAGVOUSUESKO-JLXBFWJWSA-N
MW372.53 g/mol
LogP6.35
Rot. Bonds8

About [(1E,5E)-3,3-difluoro-6-phenyl-4-phenylmethoxyhexa-1,5-dienyl]-trimethylsilane

[(1E,5E)-3,3-difluoro-6-phenyl-4-phenylmethoxyhexa-1,5-dienyl]-trimethylsilane (PubChem CID 100950780) has the molecular formula C22H26F2OSi and a molecular weight of 372.53 g/mol. Its IUPAC name is [(1E,5E)-3,3-difluoro-6-phenyl-4-phenylmethoxyhexa-1,5-dienyl]-trimethylsilane.

Molecular Properties

Compound Name[(1E,5E)-3,3-difluoro-6-phenyl-4-phenylmethoxyhexa-1,5-dienyl]-trimethylsilane
PubChem CID100950780
Molecular FormulaC22H26F2OSi
Molecular Weight372.53 g/mol
Exact Mass372.17
IUPAC Name[(1E,5E)-3,3-difluoro-6-phenyl-4-phenylmethoxyhexa-1,5-dienyl]-trimethylsilane
SMILESC[Si](C)(C)/C=C/C(F)(F)C(/C=C/c1ccccc1)OCc1ccccc1
InChIInChI=1S/C22H26F2OSi/c1-26(2,3)17-16-22(23,24)21(15-14-19-10-6-4-7-11-19)25-18-20-12-8-5-9-13-20/h4-17,21H,18H2,1-3H3/b15-14+,17-16+
InChIKeyQEMAGVOUSUESKO-JLXBFWJWSA-N
XLogP6.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.53
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane
CID 10980030
tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333549
tert-butyl-dimethyl-[(2S,3S)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333550
methyl-diphenyl-[(E,3R,4S)-3,5,5-trimethyl-4-phenylmethoxyhex-1-enyl]silane
CID 132576559
[(E)-3,3-bis(prop-2-enoxy)prop-1-enyl]benzene
CID 24895615
1,1,1-trifluoropent-4-en-2-yloxymethylbenzene
CID 175434069
[(1E,4E)-1,5-diphenyl-3-(trifluoromethyl)penta-1,4-dien-3-yl]oxy-trimethylsilane
CID 10714568
(E)-5,5-dimethyl-4-phenylmethoxyhex-2-en-1-ol
CID 139252353
tert-butyl-dimethyl-[(3S,4S)-4-phenylmethoxypent-1-en-3-yl]oxysilane
CID 138976638
(5,5-dimethyl-6-phenylmethoxyoct-7-en-1-yn-3-yl)oxy-trimethylsilane
CID 24886629
[(1R)-1-methoxyprop-2-enoxy]methylbenzene
CID 126647784
(E)-1-bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol
CID 5470783

Frequently Asked Questions

What is the IUPAC name of [(1E,5E)-3,3-difluoro-6-phenyl-4-phenylmethoxyhexa-1,5-dienyl]-trimethylsilane?
The IUPAC name of [(1E,5E)-3,3-difluoro-6-phenyl-4-phenylmethoxyhexa-1,5-dienyl]-trimethylsilane (CID 100950780) is [(1E,5E)-3,3-difluoro-6-phenyl-4-phenylmethoxyhexa-1,5-dienyl]-trimethylsilane.
What is the SMILES notation for [(1E,5E)-3,3-difluoro-6-phenyl-4-phenylmethoxyhexa-1,5-dienyl]-trimethylsilane?
The canonical SMILES for [(1E,5E)-3,3-difluoro-6-phenyl-4-phenylmethoxyhexa-1,5-dienyl]-trimethylsilane is C[Si](C)(C)/C=C/C(F)(F)C(/C=C/c1ccccc1)OCc1ccccc1.
What is the InChIKey of [(1E,5E)-3,3-difluoro-6-phenyl-4-phenylmethoxyhexa-1,5-dienyl]-trimethylsilane?
The InChIKey is QEMAGVOUSUESKO-JLXBFWJWSA-N. The full InChI is InChI=1S/C22H26F2OSi/c1-26(2,3)17-16-22(23,24)21(15-14-19-10-6-4-7-11-19)25-18-20-12-8-5-9-13-20/h4-17,21H,18H2,1-3H3/b15-14+,17-16+.
What are the key properties of [(1E,5E)-3,3-difluoro-6-phenyl-4-phenylmethoxyhexa-1,5-dienyl]-trimethylsilane?
[(1E,5E)-3,3-difluoro-6-phenyl-4-phenylmethoxyhexa-1,5-dienyl]-trimethylsilane has a molecular weight of 372.53 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,5E)-3,3-difluoro-6-phenyl-4-phenylmethoxyhexa-1,5-dienyl]-trimethylsilane is sourced from PubChem (CID 100950780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).