triethyl-[(2E,4S,5R,6E)-7-(N-methyl-S-phenylsulfonimidoyl)-5-propan-2-yldeca-2,6,9-trien-4-yl]oxysilane

C26H43NO2SSi — CID 15942292

IUPACtriethyl-[(2E,4S,5R,6E)-7-(N-methyl-S-phenylsulfonimidoyl)-5-propan-2-yldeca-2,6,9-trien-4-yl]oxysilane
SMILESC=CC/C(=C\[C@@H](C(C)C)[C@H](/C=C/C)O[Si](CC)(CC)CC)S(=O)(=NC)c1ccccc1
InChIInChI=1S/C26H43NO2SSi/c1-9-17-24(30(28,27-8)23-19-15-14-16-20-23)21-25(22(6)7)26(18-10-2)29-31(11-3,12-4)13-5/h9-10,14-16,18-22,25-26H,1,11-13,17H2,2-8H3/b18-10+,24-21+/t25-,26-,30?/m0/s1
InChIKeyLOHUVDMGYITPRR-DJCCLERXSA-N
MW461.79 g/mol
LogP7.84
Rot. Bonds13

About triethyl-[(2E,4S,5R,6E)-7-(N-methyl-S-phenylsulfonimidoyl)-5-propan-2-yldeca-2,6,9-trien-4-yl]oxysilane

triethyl-[(2E,4S,5R,6E)-7-(N-methyl-S-phenylsulfonimidoyl)-5-propan-2-yldeca-2,6,9-trien-4-yl]oxysilane (PubChem CID 15942292) has the molecular formula C26H43NO2SSi and a molecular weight of 461.79 g/mol. Its IUPAC name is triethyl-[(2E,4S,5R,6E)-7-(N-methyl-S-phenylsulfonimidoyl)-5-propan-2-yldeca-2,6,9-trien-4-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(2E,4S,5R,6E)-7-(N-methyl-S-phenylsulfonimidoyl)-5-propan-2-yldeca-2,6,9-trien-4-yl]oxysilane
PubChem CID15942292
Molecular FormulaC26H43NO2SSi
Molecular Weight461.79 g/mol
Exact Mass461.28
IUPAC Nametriethyl-[(2E,4S,5R,6E)-7-(N-methyl-S-phenylsulfonimidoyl)-5-propan-2-yldeca-2,6,9-trien-4-yl]oxysilane
SMILESC=CC/C(=C\[C@@H](C(C)C)[C@H](/C=C/C)O[Si](CC)(CC)CC)S(=O)(=NC)c1ccccc1
InChIInChI=1S/C26H43NO2SSi/c1-9-17-24(30(28,27-8)23-19-15-14-16-20-23)21-25(22(6)7)26(18-10-2)29-31(11-3,12-4)13-5/h9-10,14-16,18-22,25-26H,1,11-13,17H2,2-8H3/b18-10+,24-21+/t25-,26-,30?/m0/s1
InChIKeyLOHUVDMGYITPRR-DJCCLERXSA-N
XLogP7.84
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.79
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(9r,10s,e)-9-isopropyl-11-methyl-7-[(r)-N-methyl-S-phenyl-sulfonimidoyl]-10-(triethylsilyloxy)dodeca-1,7-dien-6-one
CID 175668185
[(1R,2S)-5-(benzenesulfonyl)-2-methylcyclohepta-3,5-dien-1-yl]oxy-tert-butyl-dimethylsilane
CID 11660871
[(1R,2R)-5-(benzenesulfonyl)-2-methylcyclohepta-3,5-dien-1-yl]oxy-tert-butyl-dimethylsilane
CID 102254190
[3-(Benzenesulfonyl)-4-methyl-1-(3-methylbut-2-en-2-yl)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 134905067
triethyl-[(Z,2S,3R)-5-(N-methyl-S-phenylsulfonimidoyl)-3-propan-2-ylpent-4-en-2-yl]oxysilane
CID 138970930
(2s,3r,6s)-6-allyl-6-(but-3-enyl)-2,3-diisopropyl-5-[(r)-N-methyl-S-phenyl-sulfonimidoyl]-3,6-dihydro-2h-pyran
CID 175668175
(8r,9s,e)-8-isopropyl-10-methyl-6-[(r)-N-methyl-S-phenyl-sulfonimidoyl]-9-(triethylsilyloxy)-undeca-1,6-dien-5-one
CID 175668184
triethyl-[(1S)-2-methyl-1-[(1R,2E)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propoxy]silane
CID 24999387
triethyl-[(Z,3R,4S)-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenyl-4-propan-2-ylhex-5-en-1-yn-3-yl]oxysilane
CID 101200010
triethyl-[(1Z,3R,4S)-3-methyl-1-(N-methyl-S-phenylsulfonimidoyl)octa-1,7-dien-4-yl]oxysilane
CID 102396378
(6E,8R,9S)-10-methyl-6-(N-methyl-S-phenylsulfonimidoyl)-8-propan-2-yl-9-triethylsilyloxyundeca-1,6-dien-5-one
CID 102519827
(1S, 2S, 7S)-(4-Benzenesulfonyl-2,7-dimethylcyclohepta-3,5-dienyloxy)-tert-butyldimethylsilane
CID 9977855

Frequently Asked Questions

What is the IUPAC name of triethyl-[(2E,4S,5R,6E)-7-(N-methyl-S-phenylsulfonimidoyl)-5-propan-2-yldeca-2,6,9-trien-4-yl]oxysilane?
The IUPAC name of triethyl-[(2E,4S,5R,6E)-7-(N-methyl-S-phenylsulfonimidoyl)-5-propan-2-yldeca-2,6,9-trien-4-yl]oxysilane (CID 15942292) is triethyl-[(2E,4S,5R,6E)-7-(N-methyl-S-phenylsulfonimidoyl)-5-propan-2-yldeca-2,6,9-trien-4-yl]oxysilane.
What is the SMILES notation for triethyl-[(2E,4S,5R,6E)-7-(N-methyl-S-phenylsulfonimidoyl)-5-propan-2-yldeca-2,6,9-trien-4-yl]oxysilane?
The canonical SMILES for triethyl-[(2E,4S,5R,6E)-7-(N-methyl-S-phenylsulfonimidoyl)-5-propan-2-yldeca-2,6,9-trien-4-yl]oxysilane is C=CC/C(=C\[C@@H](C(C)C)[C@H](/C=C/C)O[Si](CC)(CC)CC)S(=O)(=NC)c1ccccc1.
What is the InChIKey of triethyl-[(2E,4S,5R,6E)-7-(N-methyl-S-phenylsulfonimidoyl)-5-propan-2-yldeca-2,6,9-trien-4-yl]oxysilane?
The InChIKey is LOHUVDMGYITPRR-DJCCLERXSA-N. The full InChI is InChI=1S/C26H43NO2SSi/c1-9-17-24(30(28,27-8)23-19-15-14-16-20-23)21-25(22(6)7)26(18-10-2)29-31(11-3,12-4)13-5/h9-10,14-16,18-22,25-26H,1,11-13,17H2,2-8H3/b18-10+,24-21+/t25-,26-,30?/m0/s1.
What are the key properties of triethyl-[(2E,4S,5R,6E)-7-(N-methyl-S-phenylsulfonimidoyl)-5-propan-2-yldeca-2,6,9-trien-4-yl]oxysilane?
triethyl-[(2E,4S,5R,6E)-7-(N-methyl-S-phenylsulfonimidoyl)-5-propan-2-yldeca-2,6,9-trien-4-yl]oxysilane has a molecular weight of 461.79 g/mol, XLogP of 7.84, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2E,4S,5R,6E)-7-(N-methyl-S-phenylsulfonimidoyl)-5-propan-2-yldeca-2,6,9-trien-4-yl]oxysilane is sourced from PubChem (CID 15942292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).