triethyl-[(Z,3S,4S)-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxysilane

C26H39NO2SSi — CID 10718677

IUPACtriethyl-[(Z,3S,4S)-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@@H](C(C)C)[C@@H](/C=C\S(=O)(=NC)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H39NO2SSi/c1-7-31(8-2,9-3)29-26(22(4)5)25(23-16-12-10-13-17-23)20-21-30(28,27-6)24-18-14-11-15-19-24/h10-22,25-26H,7-9H2,1-6H3/b21-20-/t25-,26-,30?/m0/s1
InChIKeyHSEBRGYACZPIMQ-OQODNWTBSA-N
MW457.76 g/mol
LogP7.49
Rot. Bonds11

About triethyl-[(Z,3S,4S)-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxysilane

triethyl-[(Z,3S,4S)-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxysilane (PubChem CID 10718677) has the molecular formula C26H39NO2SSi and a molecular weight of 457.76 g/mol. Its IUPAC name is triethyl-[(Z,3S,4S)-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(Z,3S,4S)-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxysilane
PubChem CID10718677
Molecular FormulaC26H39NO2SSi
Molecular Weight457.76 g/mol
Exact Mass457.25
IUPAC Nametriethyl-[(Z,3S,4S)-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@@H](C(C)C)[C@@H](/C=C\S(=O)(=NC)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H39NO2SSi/c1-7-31(8-2,9-3)29-26(22(4)5)25(23-16-12-10-13-17-23)20-21-30(28,27-6)24-18-14-11-15-19-24/h10-22,25-26H,7-9H2,1-6H3/b21-20-/t25-,26-,30?/m0/s1
InChIKeyHSEBRGYACZPIMQ-OQODNWTBSA-N
XLogP7.49
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.76
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(e)-1-[(r)-2-[(s)-2-methyl-1-(triethylsilyloxy)propyl]cyclohexylidene]-1-[(r)-N-methyl-S-phenyl-sulfonimidoyl]hex-5-en-2-one
CID 175668186
(e)-1-[(r)-2-[(s)-2-methyl-1-(triethylsilyloxy)propyl]cyclohexylidene}-1-[(r)-N-methyl-S-phenyl-sulfonimidoyl]hept-6-en-2-one
CID 175668187
(Z,3S,4R)-4-cyclohexyl-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)hex-5-en-3-ol
CID 10593963
Trimethyl-[2-[phenyl(phenylsulfanyl)methyl]hexoxy]silane
CID 14961450
(1S)-2-methyl-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propan-1-ol
CID 25038285
(Z,3S,4R)-2,5-dimethyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-ol
CID 25048478
Tert-butyl-dimethyl-[2-(4-methylphenyl)sulfinyl-1-phenylethoxy]silane
CID 73112372
triethyl-[(Z,1R,2R)-3-methyl-4-(N-methyl-S-phenylsulfonimidoyl)-1-phenyl-2-propan-2-ylbut-3-enoxy]silane
CID 134932200
(Z,3R,4R)-4-cyclohexyl-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)hex-5-en-3-ol
CID 134981789
tert-butyl-dimethyl-[(E,1S,2S)-1-phenyl-2-phenylsulfanyldec-3-enoxy]silane
CID 135018818
trimethyl-[(2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]hexoxy]silane
CID 135050526
triethyl-[(Z,1R,2R)-3-methyl-4-(N-methyl-S-phenylsulfonimidoyl)-1,2-diphenylbut-3-enoxy]silane
CID 138970059

Frequently Asked Questions

What is the IUPAC name of triethyl-[(Z,3S,4S)-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxysilane?
The IUPAC name of triethyl-[(Z,3S,4S)-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxysilane (CID 10718677) is triethyl-[(Z,3S,4S)-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxysilane.
What is the SMILES notation for triethyl-[(Z,3S,4S)-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxysilane?
The canonical SMILES for triethyl-[(Z,3S,4S)-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxysilane is CC[Si](CC)(CC)O[C@@H](C(C)C)[C@@H](/C=C\S(=O)(=NC)c1ccccc1)c1ccccc1.
What is the InChIKey of triethyl-[(Z,3S,4S)-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxysilane?
The InChIKey is HSEBRGYACZPIMQ-OQODNWTBSA-N. The full InChI is InChI=1S/C26H39NO2SSi/c1-7-31(8-2,9-3)29-26(22(4)5)25(23-16-12-10-13-17-23)20-21-30(28,27-6)24-18-14-11-15-19-24/h10-22,25-26H,7-9H2,1-6H3/b21-20-/t25-,26-,30?/m0/s1.
What are the key properties of triethyl-[(Z,3S,4S)-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxysilane?
triethyl-[(Z,3S,4S)-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxysilane has a molecular weight of 457.76 g/mol, XLogP of 7.49, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(Z,3S,4S)-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxysilane is sourced from PubChem (CID 10718677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).