ethyl-ethylidene-[(Z)-3-phenyl-2-trimethylsilylprop-2-enyl]azanium;hexachloroantimony(1-)

C16H26Cl6NSbSi — CID 16687306

IUPACethyl-ethylidene-[(Z)-3-phenyl-2-trimethylsilylprop-2-enyl]azanium;hexachloroantimony(1-)
SMILESC/C=[N+](\CC)C/C(=C/c1ccccc1)[Si](C)(C)C.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl
InChIInChI=1S/C16H26NSi.6ClH.Sb/c1-6-17(7-2)14-16(18(3,4)5)13-15-11-9-8-10-12-15;;;;;;;/h6,8-13H,7,14H2,1-5H3;6*1H;/q+1;;;;;;;+5/p-6/b16-13-,17-6+;;;;;;;
InChIKeyCTIIISUNYGKUEV-LPZZHFMYSA-H
MW594.96 g/mol
LogP7.83
Rot. Bonds5

About ethyl-ethylidene-[(Z)-3-phenyl-2-trimethylsilylprop-2-enyl]azanium;hexachloroantimony(1-)

ethyl-ethylidene-[(Z)-3-phenyl-2-trimethylsilylprop-2-enyl]azanium;hexachloroantimony(1-) (PubChem CID 16687306) has the molecular formula C16H26Cl6NSbSi and a molecular weight of 594.96 g/mol. Its IUPAC name is ethyl-ethylidene-[(Z)-3-phenyl-2-trimethylsilylprop-2-enyl]azanium;hexachloroantimony(1-).

Molecular Properties

Compound Nameethyl-ethylidene-[(Z)-3-phenyl-2-trimethylsilylprop-2-enyl]azanium;hexachloroantimony(1-)
PubChem CID16687306
Molecular FormulaC16H26Cl6NSbSi
Molecular Weight594.96 g/mol
Exact Mass590.90
IUPAC Nameethyl-ethylidene-[(Z)-3-phenyl-2-trimethylsilylprop-2-enyl]azanium;hexachloroantimony(1-)
SMILESC/C=[N+](\CC)C/C(=C/c1ccccc1)[Si](C)(C)C.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl
InChIInChI=1S/C16H26NSi.6ClH.Sb/c1-6-17(7-2)14-16(18(3,4)5)13-15-11-9-8-10-12-15;;;;;;;/h6,8-13H,7,14H2,1-5H3;6*1H;/q+1;;;;;;;+5/p-6/b16-13-,17-6+;;;;;;;
InChIKeyCTIIISUNYGKUEV-LPZZHFMYSA-H
XLogP7.83
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.96
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[dimethyl(1-phenylbut-1-en-2-yl)silyl]oxy-dimethyl-trimethylsilyloxysilane
CID 172796480
[dimethyl(1-phenylbut-1-en-2-yl)silyl]oxy-[[[[[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane
CID 140568560
methyl (E)-5-phenyl-4-trimethylsilylpent-4-enoate
CID 134988143
2-(chloromethyl)but-1-enylbenzene
CID 54330617
[(2Z,4E)-1-chloro-5-phenylpenta-2,4-dien-2-yl]-trimethylsilane
CID 134978697
triethyl-[(Z)-2-phenyl-1-trimethylsilylethenoxy]silane
CID 11722715
(E)-2-[4-[(E)-2-hydroxy-2-trimethylsilylethenyl]phenyl]-1-trimethylsilylethenol
CID 101468148
[(Z)-2-ethylsulfanyl-2-(methyldisulfanyl)ethenyl]benzene
CID 134996556
2-chloropent-1-enylbenzene
CID 54481517
1-[(Z)-2-phenyl-1-trimethylsilylethenyl]sulfanylpropan-2-one
CID 10659307
[(1Z,3Z,5E)-2-ethylhepta-1,3,5-trienyl]benzene
CID 142148330
1-[(Z)-1-chloro-2-phenylethenyl]-4-methylbenzene
CID 15417412

Frequently Asked Questions

What is the IUPAC name of ethyl-ethylidene-[(Z)-3-phenyl-2-trimethylsilylprop-2-enyl]azanium;hexachloroantimony(1-)?
The IUPAC name of ethyl-ethylidene-[(Z)-3-phenyl-2-trimethylsilylprop-2-enyl]azanium;hexachloroantimony(1-) (CID 16687306) is ethyl-ethylidene-[(Z)-3-phenyl-2-trimethylsilylprop-2-enyl]azanium;hexachloroantimony(1-).
What is the SMILES notation for ethyl-ethylidene-[(Z)-3-phenyl-2-trimethylsilylprop-2-enyl]azanium;hexachloroantimony(1-)?
The canonical SMILES for ethyl-ethylidene-[(Z)-3-phenyl-2-trimethylsilylprop-2-enyl]azanium;hexachloroantimony(1-) is C/C=[N+](\CC)C/C(=C/c1ccccc1)[Si](C)(C)C.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl.
What is the InChIKey of ethyl-ethylidene-[(Z)-3-phenyl-2-trimethylsilylprop-2-enyl]azanium;hexachloroantimony(1-)?
The InChIKey is CTIIISUNYGKUEV-LPZZHFMYSA-H. The full InChI is InChI=1S/C16H26NSi.6ClH.Sb/c1-6-17(7-2)14-16(18(3,4)5)13-15-11-9-8-10-12-15;;;;;;;/h6,8-13H,7,14H2,1-5H3;6*1H;/q+1;;;;;;;+5/p-6/b16-13-,17-6+;;;;;;;.
What are the key properties of ethyl-ethylidene-[(Z)-3-phenyl-2-trimethylsilylprop-2-enyl]azanium;hexachloroantimony(1-)?
ethyl-ethylidene-[(Z)-3-phenyl-2-trimethylsilylprop-2-enyl]azanium;hexachloroantimony(1-) has a molecular weight of 594.96 g/mol, XLogP of 7.83, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-ethylidene-[(Z)-3-phenyl-2-trimethylsilylprop-2-enyl]azanium;hexachloroantimony(1-) is sourced from PubChem (CID 16687306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).