triethyl-[(1Z,3R,4S)-3-methyl-1-(N-methyl-S-phenylsulfonimidoyl)octa-1,7-dien-4-yl]oxysilane

C22H37NO2SSi — CID 102396378

IUPACtriethyl-[(1Z,3R,4S)-3-methyl-1-(N-methyl-S-phenylsulfonimidoyl)octa-1,7-dien-4-yl]oxysilane
SMILESC=CCC[C@H](O[Si](CC)(CC)CC)[C@H](C)/C=C\S(=O)(=NC)c1ccccc1
InChIInChI=1S/C22H37NO2SSi/c1-7-11-17-22(25-27(8-2,9-3)10-4)20(5)18-19-26(24,23-6)21-15-13-12-14-16-21/h7,12-16,18-20,22H,1,8-11,17H2,2-6H3/b19-18-/t20-,22+,26?/m1/s1
InChIKeyFZYOSVBZLJSVHL-SMODBCAASA-N
MW407.70 g/mol
LogP6.65
Rot. Bonds12

About triethyl-[(1Z,3R,4S)-3-methyl-1-(N-methyl-S-phenylsulfonimidoyl)octa-1,7-dien-4-yl]oxysilane

triethyl-[(1Z,3R,4S)-3-methyl-1-(N-methyl-S-phenylsulfonimidoyl)octa-1,7-dien-4-yl]oxysilane (PubChem CID 102396378) has the molecular formula C22H37NO2SSi and a molecular weight of 407.70 g/mol. Its IUPAC name is triethyl-[(1Z,3R,4S)-3-methyl-1-(N-methyl-S-phenylsulfonimidoyl)octa-1,7-dien-4-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(1Z,3R,4S)-3-methyl-1-(N-methyl-S-phenylsulfonimidoyl)octa-1,7-dien-4-yl]oxysilane
PubChem CID102396378
Molecular FormulaC22H37NO2SSi
Molecular Weight407.70 g/mol
Exact Mass407.23
IUPAC Nametriethyl-[(1Z,3R,4S)-3-methyl-1-(N-methyl-S-phenylsulfonimidoyl)octa-1,7-dien-4-yl]oxysilane
SMILESC=CCC[C@H](O[Si](CC)(CC)CC)[C@H](C)/C=C\S(=O)(=NC)c1ccccc1
InChIInChI=1S/C22H37NO2SSi/c1-7-11-17-22(25-27(8-2,9-3)10-4)20(5)18-19-26(24,23-6)21-15-13-12-14-16-21/h7,12-16,18-20,22H,1,8-11,17H2,2-6H3/b19-18-/t20-,22+,26?/m1/s1
InChIKeyFZYOSVBZLJSVHL-SMODBCAASA-N
XLogP6.65
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.70
LogP ≤ 56.65
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

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[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane
CID 162405619
(9r,10s,e)-9-isopropyl-11-methyl-7-[(r)-N-methyl-S-phenyl-sulfonimidoyl]-10-(triethylsilyloxy)dodeca-1,7-dien-6-one
CID 175668185
(3S)-4-{[Tert-butyl(dimethyl)silyl]oxy}-3-methylbutyl phenyl sulfone
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[(2S,3S,6S)-1-(benzenesulfonyl)-2,6-dimethyloct-7-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 11004146
[(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane
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[(4R,7E)-9-(benzenesulfonyl)-7-methylnona-1,7-dien-4-yl]oxy-tert-butyl-dimethylsilane
CID 11069577
(R)-4-(tert-Butyldimethylsilyloxy)-3-methylbutyl pheny sulfone
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[(1R,2S)-5-(benzenesulfonyl)-2-methylcyclohepta-3,5-dien-1-yl]oxy-tert-butyl-dimethylsilane
CID 11660871
[(E)-4-(benzenesulfonyl)but-3-en-2-yl]oxy-tri(propan-2-yl)silane
CID 15935843
[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tri(propan-2-yl)silane
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(Z,3S,4R)-2-methyl-6-(N-methyl-S-phenylsulfonimidoyl)-4-propan-2-ylhex-5-en-3-ol
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Frequently Asked Questions

What is the IUPAC name of triethyl-[(1Z,3R,4S)-3-methyl-1-(N-methyl-S-phenylsulfonimidoyl)octa-1,7-dien-4-yl]oxysilane?
The IUPAC name of triethyl-[(1Z,3R,4S)-3-methyl-1-(N-methyl-S-phenylsulfonimidoyl)octa-1,7-dien-4-yl]oxysilane (CID 102396378) is triethyl-[(1Z,3R,4S)-3-methyl-1-(N-methyl-S-phenylsulfonimidoyl)octa-1,7-dien-4-yl]oxysilane.
What is the SMILES notation for triethyl-[(1Z,3R,4S)-3-methyl-1-(N-methyl-S-phenylsulfonimidoyl)octa-1,7-dien-4-yl]oxysilane?
The canonical SMILES for triethyl-[(1Z,3R,4S)-3-methyl-1-(N-methyl-S-phenylsulfonimidoyl)octa-1,7-dien-4-yl]oxysilane is C=CCC[C@H](O[Si](CC)(CC)CC)[C@H](C)/C=C\S(=O)(=NC)c1ccccc1.
What is the InChIKey of triethyl-[(1Z,3R,4S)-3-methyl-1-(N-methyl-S-phenylsulfonimidoyl)octa-1,7-dien-4-yl]oxysilane?
The InChIKey is FZYOSVBZLJSVHL-SMODBCAASA-N. The full InChI is InChI=1S/C22H37NO2SSi/c1-7-11-17-22(25-27(8-2,9-3)10-4)20(5)18-19-26(24,23-6)21-15-13-12-14-16-21/h7,12-16,18-20,22H,1,8-11,17H2,2-6H3/b19-18-/t20-,22+,26?/m1/s1.
What are the key properties of triethyl-[(1Z,3R,4S)-3-methyl-1-(N-methyl-S-phenylsulfonimidoyl)octa-1,7-dien-4-yl]oxysilane?
triethyl-[(1Z,3R,4S)-3-methyl-1-(N-methyl-S-phenylsulfonimidoyl)octa-1,7-dien-4-yl]oxysilane has a molecular weight of 407.70 g/mol, XLogP of 6.65, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1Z,3R,4S)-3-methyl-1-(N-methyl-S-phenylsulfonimidoyl)octa-1,7-dien-4-yl]oxysilane is sourced from PubChem (CID 102396378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).