tert-butyl-[(1Z)-1-(4-fluorophenyl)buta-1,3-dien-2-yl]oxy-dimethylsilane

C16H23FOSi — CID 21099309

IUPACtert-butyl-[(1Z)-1-(4-fluorophenyl)buta-1,3-dien-2-yl]oxy-dimethylsilane
SMILESC=C/C(=C/c1ccc(F)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H23FOSi/c1-7-15(18-19(5,6)16(2,3)4)12-13-8-10-14(17)11-9-13/h7-12H,1H2,2-6H3/b15-12-
InChIKeyLSTSCCXXVFDPGH-QINSGFPZSA-N
MW278.44 g/mol
LogP5.37
Rot. Bonds4

About tert-butyl-[(1Z)-1-(4-fluorophenyl)buta-1,3-dien-2-yl]oxy-dimethylsilane

tert-butyl-[(1Z)-1-(4-fluorophenyl)buta-1,3-dien-2-yl]oxy-dimethylsilane (PubChem CID 21099309) has the molecular formula C16H23FOSi and a molecular weight of 278.44 g/mol. Its IUPAC name is tert-butyl-[(1Z)-1-(4-fluorophenyl)buta-1,3-dien-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1Z)-1-(4-fluorophenyl)buta-1,3-dien-2-yl]oxy-dimethylsilane
PubChem CID21099309
Molecular FormulaC16H23FOSi
Molecular Weight278.44 g/mol
Exact Mass278.15
IUPAC Nametert-butyl-[(1Z)-1-(4-fluorophenyl)buta-1,3-dien-2-yl]oxy-dimethylsilane
SMILESC=C/C(=C/c1ccc(F)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H23FOSi/c1-7-15(18-19(5,6)16(2,3)4)12-13-8-10-14(17)11-9-13/h7-12H,1H2,2-6H3/b15-12-
InChIKeyLSTSCCXXVFDPGH-QINSGFPZSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.37
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Benzene, ((ethoxydimethylsilyl)methyl)-
CID 86972
Benzyl(methoxy)dimethylsilane
CID 12749810
Silane, methoxydimethyl(4-methylphenyl)-
CID 142850
trimethyl-[(E)-2-phenylprop-1-enoxy]silane
CID 6387112
(4-Fluorophenyl)methyl-trimethylsilane
CID 298147
2-(4-Fluorophenyl)prop-2-enyl-trimethylsilane
CID 10856711
Triethyl(4-fluorophenethyl)silane
CID 10857544
trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-phenylbut-3-en-2-yl]oxysilane
CID 24997841
Benzyldiethylsilanol
CID 4419249
(3-Fluorophenyl)methyl-trimethylsilane
CID 298150
[(E)-7-(4-fluorophenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane
CID 12965436
1,1,1-Trifluoro-2-(trimethylsiloxy)-4-phenyl-3-butene
CID 11448725

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1Z)-1-(4-fluorophenyl)buta-1,3-dien-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1Z)-1-(4-fluorophenyl)buta-1,3-dien-2-yl]oxy-dimethylsilane (CID 21099309) is tert-butyl-[(1Z)-1-(4-fluorophenyl)buta-1,3-dien-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1Z)-1-(4-fluorophenyl)buta-1,3-dien-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1Z)-1-(4-fluorophenyl)buta-1,3-dien-2-yl]oxy-dimethylsilane is C=C/C(=C/c1ccc(F)cc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1Z)-1-(4-fluorophenyl)buta-1,3-dien-2-yl]oxy-dimethylsilane?
The InChIKey is LSTSCCXXVFDPGH-QINSGFPZSA-N. The full InChI is InChI=1S/C16H23FOSi/c1-7-15(18-19(5,6)16(2,3)4)12-13-8-10-14(17)11-9-13/h7-12H,1H2,2-6H3/b15-12-.
What are the key properties of tert-butyl-[(1Z)-1-(4-fluorophenyl)buta-1,3-dien-2-yl]oxy-dimethylsilane?
tert-butyl-[(1Z)-1-(4-fluorophenyl)buta-1,3-dien-2-yl]oxy-dimethylsilane has a molecular weight of 278.44 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1Z)-1-(4-fluorophenyl)buta-1,3-dien-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 21099309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).