[(E,3S,4R)-2,5-dimethyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxy-triethylsilane

C27H41NO2SSi — CID 11812735

IUPAC[(E,3S,4R)-2,5-dimethyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@@H](C(C)C)[C@@H](/C(C)=C/S(=O)(=NC)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H41NO2SSi/c1-8-32(9-2,10-3)30-27(22(4)5)26(24-17-13-11-14-18-24)23(6)21-31(29,28-7)25-19-15-12-16-20-25/h11-22,26-27H,8-10H2,1-7H3/b23-21+/t26-,27-,31?/m0/s1
InChIKeyVBDOIARYPMUQTH-KYCGFQNPSA-N
MW471.78 g/mol
LogP7.88
Rot. Bonds11

About [(E,3S,4R)-2,5-dimethyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxy-triethylsilane

[(E,3S,4R)-2,5-dimethyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxy-triethylsilane (PubChem CID 11812735) has the molecular formula C27H41NO2SSi and a molecular weight of 471.78 g/mol. Its IUPAC name is [(E,3S,4R)-2,5-dimethyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(E,3S,4R)-2,5-dimethyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxy-triethylsilane
PubChem CID11812735
Molecular FormulaC27H41NO2SSi
Molecular Weight471.78 g/mol
Exact Mass471.26
IUPAC Name[(E,3S,4R)-2,5-dimethyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@@H](C(C)C)[C@@H](/C(C)=C/S(=O)(=NC)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H41NO2SSi/c1-8-32(9-2,10-3)30-27(22(4)5)26(24-17-13-11-14-18-24)23(6)21-31(29,28-7)25-19-15-12-16-20-25/h11-22,26-27H,8-10H2,1-7H3/b23-21+/t26-,27-,31?/m0/s1
InChIKeyVBDOIARYPMUQTH-KYCGFQNPSA-N
XLogP7.88
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.78
LogP ≤ 57.88
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 [(E,3S,4R)-2,5-dimethyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxy-triethylsilane?
The IUPAC name of [(E,3S,4R)-2,5-dimethyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxy-triethylsilane (CID 11812735) is [(E,3S,4R)-2,5-dimethyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxy-triethylsilane.
What is the SMILES notation for [(E,3S,4R)-2,5-dimethyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxy-triethylsilane?
The canonical SMILES for [(E,3S,4R)-2,5-dimethyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxy-triethylsilane is CC[Si](CC)(CC)O[C@@H](C(C)C)[C@@H](/C(C)=C/S(=O)(=NC)c1ccccc1)c1ccccc1.
What is the InChIKey of [(E,3S,4R)-2,5-dimethyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxy-triethylsilane?
The InChIKey is VBDOIARYPMUQTH-KYCGFQNPSA-N. The full InChI is InChI=1S/C27H41NO2SSi/c1-8-32(9-2,10-3)30-27(22(4)5)26(24-17-13-11-14-18-24)23(6)21-31(29,28-7)25-19-15-12-16-20-25/h11-22,26-27H,8-10H2,1-7H3/b23-21+/t26-,27-,31?/m0/s1.
What are the key properties of [(E,3S,4R)-2,5-dimethyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxy-triethylsilane?
[(E,3S,4R)-2,5-dimethyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxy-triethylsilane has a molecular weight of 471.78 g/mol, XLogP of 7.88, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3S,4R)-2,5-dimethyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-phenylhex-5-en-3-yl]oxy-triethylsilane is sourced from PubChem (CID 11812735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).