triethyl-[(E)-3-phenyl-1-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)prop-2-enoxy]silane

C21H32NOSSi+ — CID 102075272

IUPACtriethyl-[(E)-3-phenyl-1-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)prop-2-enoxy]silane
SMILESCC[Si](CC)(CC)OC(/C=C/c1ccccc1)c1sc(C)c(C)[n+]1C
InChIInChI=1S/C21H32NOSSi/c1-7-25(8-2,9-3)23-20(16-15-19-13-11-10-12-14-19)21-22(6)17(4)18(5)24-21/h10-16,20H,7-9H2,1-6H3/q+1/b16-15+
InChIKeyPEIBQMBGQRKTHW-FOCLMDBBSA-N
MW374.65 g/mol
LogP5.97
Rot. Bonds8

About triethyl-[(E)-3-phenyl-1-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)prop-2-enoxy]silane

triethyl-[(E)-3-phenyl-1-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)prop-2-enoxy]silane (PubChem CID 102075272) has the molecular formula C21H32NOSSi+ and a molecular weight of 374.65 g/mol. Its IUPAC name is triethyl-[(E)-3-phenyl-1-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)prop-2-enoxy]silane.

Molecular Properties

Compound Nametriethyl-[(E)-3-phenyl-1-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)prop-2-enoxy]silane
PubChem CID102075272
Molecular FormulaC21H32NOSSi+
Molecular Weight374.65 g/mol
Exact Mass374.20
IUPAC Nametriethyl-[(E)-3-phenyl-1-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)prop-2-enoxy]silane
SMILESCC[Si](CC)(CC)OC(/C=C/c1ccccc1)c1sc(C)c(C)[n+]1C
InChIInChI=1S/C21H32NOSSi/c1-7-25(8-2,9-3)23-20(16-15-19-13-11-10-12-14-19)21-22(6)17(4)18(5)24-21/h10-16,20H,7-9H2,1-6H3/q+1/b16-15+
InChIKeyPEIBQMBGQRKTHW-FOCLMDBBSA-N
XLogP5.97
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.65
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,3S,4R)-6-phenyl-4-triethylsilyloxyhex-5-en-3-ol
CID 10804618
phenyl-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)methanol
CID 54306339
[(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene
CID 100939369
[(E)-4-ethenyl-6-phenylhex-5-enoxy]-triethylsilane
CID 139253708
(3S)-3-phenyl-3-triethylsilyloxypropanal
CID 10923425
diethyl 2-[(E,1R)-1,3-diphenylprop-2-enyl]propanedioate
CID 11002654
[(E)-1-methoxy-3-phenylprop-2-enyl]benzene
CID 10353588
[(E)-1,3-diphenylprop-2-enoxy]benzene
CID 11289166
3-methoxypent-1-enylbenzene
CID 71364960
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
CID 102348217
[(E)-3-methylhept-1-enyl]benzene
CID 12949923

Frequently Asked Questions

What is the IUPAC name of triethyl-[(E)-3-phenyl-1-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)prop-2-enoxy]silane?
The IUPAC name of triethyl-[(E)-3-phenyl-1-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)prop-2-enoxy]silane (CID 102075272) is triethyl-[(E)-3-phenyl-1-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)prop-2-enoxy]silane.
What is the SMILES notation for triethyl-[(E)-3-phenyl-1-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)prop-2-enoxy]silane?
The canonical SMILES for triethyl-[(E)-3-phenyl-1-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)prop-2-enoxy]silane is CC[Si](CC)(CC)OC(/C=C/c1ccccc1)c1sc(C)c(C)[n+]1C.
What is the InChIKey of triethyl-[(E)-3-phenyl-1-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)prop-2-enoxy]silane?
The InChIKey is PEIBQMBGQRKTHW-FOCLMDBBSA-N. The full InChI is InChI=1S/C21H32NOSSi/c1-7-25(8-2,9-3)23-20(16-15-19-13-11-10-12-14-19)21-22(6)17(4)18(5)24-21/h10-16,20H,7-9H2,1-6H3/q+1/b16-15+.
What are the key properties of triethyl-[(E)-3-phenyl-1-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)prop-2-enoxy]silane?
triethyl-[(E)-3-phenyl-1-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)prop-2-enoxy]silane has a molecular weight of 374.65 g/mol, XLogP of 5.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(E)-3-phenyl-1-(3,4,5-trimethyl-1,3-thiazol-3-ium-2-yl)prop-2-enoxy]silane is sourced from PubChem (CID 102075272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).