tert-butyl-dimethyl-[(5S,6E,8R,9S,10E)-6-(N-methyl-S-phenylsulfonimidoyl)-8-propan-2-yl-9-triethylsilyloxydodeca-1,6,10-trien-5-yl]oxysilane

C34H61NO3SSi2 — CID 102146333

IUPACtert-butyl-dimethyl-[(5S,6E,8R,9S,10E)-6-(N-methyl-S-phenylsulfonimidoyl)-8-propan-2-yl-9-triethylsilyloxydodeca-1,6,10-trien-5-yl]oxysilane
SMILESC=CCC[C@H](O[Si](C)(C)C(C)(C)C)/C(=C\[C@@H](C(C)C)[C@H](/C=C/C)O[Si](CC)(CC)CC)S(=O)(=NC)c1ccccc1
InChIInChI=1S/C34H61NO3SSi2/c1-14-19-26-32(37-40(12,13)34(8,9)10)33(39(36,35-11)29-24-21-20-22-25-29)27-30(28(6)7)31(23-15-2)38-41(16-3,17-4)18-5/h14-15,20-25,27-28,30-32H,1,16-19,26H2,2-13H3/b23-15+,33-27+/t30-,31-,32-,39?/m0/s1
InChIKeyVOGBSZBARNAZCK-FNMKXZHGSA-N
MW620.11 g/mol
LogP10.62
Rot. Bonds17

About tert-butyl-dimethyl-[(5S,6E,8R,9S,10E)-6-(N-methyl-S-phenylsulfonimidoyl)-8-propan-2-yl-9-triethylsilyloxydodeca-1,6,10-trien-5-yl]oxysilane

tert-butyl-dimethyl-[(5S,6E,8R,9S,10E)-6-(N-methyl-S-phenylsulfonimidoyl)-8-propan-2-yl-9-triethylsilyloxydodeca-1,6,10-trien-5-yl]oxysilane (PubChem CID 102146333) has the molecular formula C34H61NO3SSi2 and a molecular weight of 620.11 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(5S,6E,8R,9S,10E)-6-(N-methyl-S-phenylsulfonimidoyl)-8-propan-2-yl-9-triethylsilyloxydodeca-1,6,10-trien-5-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(5S,6E,8R,9S,10E)-6-(N-methyl-S-phenylsulfonimidoyl)-8-propan-2-yl-9-triethylsilyloxydodeca-1,6,10-trien-5-yl]oxysilane
PubChem CID102146333
Molecular FormulaC34H61NO3SSi2
Molecular Weight620.11 g/mol
Exact Mass619.39
IUPAC Nametert-butyl-dimethyl-[(5S,6E,8R,9S,10E)-6-(N-methyl-S-phenylsulfonimidoyl)-8-propan-2-yl-9-triethylsilyloxydodeca-1,6,10-trien-5-yl]oxysilane
SMILESC=CCC[C@H](O[Si](C)(C)C(C)(C)C)/C(=C\[C@@H](C(C)C)[C@H](/C=C/C)O[Si](CC)(CC)CC)S(=O)(=NC)c1ccccc1
InChIInChI=1S/C34H61NO3SSi2/c1-14-19-26-32(37-40(12,13)34(8,9)10)33(39(36,35-11)29-24-21-20-22-25-29)27-30(28(6)7)31(23-15-2)38-41(16-3,17-4)18-5/h14-15,20-25,27-28,30-32H,1,16-19,26H2,2-13H3/b23-15+,33-27+/t30-,31-,32-,39?/m0/s1
InChIKeyVOGBSZBARNAZCK-FNMKXZHGSA-N
XLogP10.62
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.11
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[(1S,2R,3E,5R)-1-but-3-enyl-5-[tert-butyl(dimethyl)silyl]oxy-4-(N-methyl-S-phenylsulfonimidoyl)-2-propan-2-ylnona-3,8-dienoxy]-triethylsilane
CID 102146334
[(5R,6S,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6,7-bis(phenylmethoxy)deca-1,9-dien-5-yl] acetate
CID 10697681
tert-butyl N-[(E)-5-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 10674323
tert-butyl-dimethyl-[(Z)-4-methylidene-1-phenyldec-5-en-3-yl]oxysilane
CID 11199157
tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333549
tert-butyl-dimethyl-[(2S,3S)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333550
tert-butyl-dimethyl-[(3S,4S)-4-phenylmethoxypent-1-en-3-yl]oxysilane
CID 138976638
(2S)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanoyl]amino]-3-methylbutanoic acid
CID 70085517
(3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-3-triethylsilyloxydec-9-en-1-ol
CID 52912234
(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-enal
CID 10955754
tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane
CID 154488375
(Z,2R,3R)-3-(N-methyl-S-phenylsulfonimidoyl)hex-4-en-2-ol
CID 10515054

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(5S,6E,8R,9S,10E)-6-(N-methyl-S-phenylsulfonimidoyl)-8-propan-2-yl-9-triethylsilyloxydodeca-1,6,10-trien-5-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(5S,6E,8R,9S,10E)-6-(N-methyl-S-phenylsulfonimidoyl)-8-propan-2-yl-9-triethylsilyloxydodeca-1,6,10-trien-5-yl]oxysilane (CID 102146333) is tert-butyl-dimethyl-[(5S,6E,8R,9S,10E)-6-(N-methyl-S-phenylsulfonimidoyl)-8-propan-2-yl-9-triethylsilyloxydodeca-1,6,10-trien-5-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(5S,6E,8R,9S,10E)-6-(N-methyl-S-phenylsulfonimidoyl)-8-propan-2-yl-9-triethylsilyloxydodeca-1,6,10-trien-5-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(5S,6E,8R,9S,10E)-6-(N-methyl-S-phenylsulfonimidoyl)-8-propan-2-yl-9-triethylsilyloxydodeca-1,6,10-trien-5-yl]oxysilane is C=CCC[C@H](O[Si](C)(C)C(C)(C)C)/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 tert-butyl-dimethyl-[(5S,6E,8R,9S,10E)-6-(N-methyl-S-phenylsulfonimidoyl)-8-propan-2-yl-9-triethylsilyloxydodeca-1,6,10-trien-5-yl]oxysilane?
The InChIKey is VOGBSZBARNAZCK-FNMKXZHGSA-N. The full InChI is InChI=1S/C34H61NO3SSi2/c1-14-19-26-32(37-40(12,13)34(8,9)10)33(39(36,35-11)29-24-21-20-22-25-29)27-30(28(6)7)31(23-15-2)38-41(16-3,17-4)18-5/h14-15,20-25,27-28,30-32H,1,16-19,26H2,2-13H3/b23-15+,33-27+/t30-,31-,32-,39?/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(5S,6E,8R,9S,10E)-6-(N-methyl-S-phenylsulfonimidoyl)-8-propan-2-yl-9-triethylsilyloxydodeca-1,6,10-trien-5-yl]oxysilane?
tert-butyl-dimethyl-[(5S,6E,8R,9S,10E)-6-(N-methyl-S-phenylsulfonimidoyl)-8-propan-2-yl-9-triethylsilyloxydodeca-1,6,10-trien-5-yl]oxysilane has a molecular weight of 620.11 g/mol, XLogP of 10.62, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(5S,6E,8R,9S,10E)-6-(N-methyl-S-phenylsulfonimidoyl)-8-propan-2-yl-9-triethylsilyloxydodeca-1,6,10-trien-5-yl]oxysilane is sourced from PubChem (CID 102146333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).