[(E,2R,3R)-1-(benzenesulfonyl)-2,4-dimethylhex-4-en-3-yl]oxy-tert-butyl-diphenylsilane

C30H38O3SSi — CID 10929270

IUPAC[(E,2R,3R)-1-(benzenesulfonyl)-2,4-dimethylhex-4-en-3-yl]oxy-tert-butyl-diphenylsilane
SMILESC/C=C(\C)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C30H38O3SSi/c1-7-24(2)29(25(3)23-34(31,32)26-17-11-8-12-18-26)33-35(30(4,5)6,27-19-13-9-14-20-27)28-21-15-10-16-22-28/h7-22,25,29H,23H2,1-6H3/b24-7+/t25-,29-/m0/s1
InChIKeyCCJNTVWBUAZREP-VXVAISENSA-N
MW506.78 g/mol
LogP6.01
Rot. Bonds9

About [(E,2R,3R)-1-(benzenesulfonyl)-2,4-dimethylhex-4-en-3-yl]oxy-tert-butyl-diphenylsilane

[(E,2R,3R)-1-(benzenesulfonyl)-2,4-dimethylhex-4-en-3-yl]oxy-tert-butyl-diphenylsilane (PubChem CID 10929270) has the molecular formula C30H38O3SSi and a molecular weight of 506.78 g/mol. Its IUPAC name is [(E,2R,3R)-1-(benzenesulfonyl)-2,4-dimethylhex-4-en-3-yl]oxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(E,2R,3R)-1-(benzenesulfonyl)-2,4-dimethylhex-4-en-3-yl]oxy-tert-butyl-diphenylsilane
PubChem CID10929270
Molecular FormulaC30H38O3SSi
Molecular Weight506.78 g/mol
Exact Mass506.23
IUPAC Name[(E,2R,3R)-1-(benzenesulfonyl)-2,4-dimethylhex-4-en-3-yl]oxy-tert-butyl-diphenylsilane
SMILESC/C=C(\C)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C30H38O3SSi/c1-7-24(2)29(25(3)23-34(31,32)26-17-11-8-12-18-26)33-35(30(4,5)6,27-19-13-9-14-20-27)28-21-15-10-16-22-28/h7-22,25,29H,23H2,1-6H3/b24-7+/t25-,29-/m0/s1
InChIKeyCCJNTVWBUAZREP-VXVAISENSA-N
XLogP6.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.78
LogP ≤ 56.01
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'}

Analyze [(E,2R,3R)-1-(benzenesulfonyl)-2,4-dimethylhex-4-en-3-yl]oxy-tert-butyl-diphenylsilane with MolForge

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Related Compounds

(2Z,6Z,10Z)-1-(tert-Butyldiphenylsilyloxy)-9-benzenesulfonyl-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 131749538
tert-butyl-[(Z,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane
CID 10863530
[(2S,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
CID 10994066
[(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane
CID 10994068
[(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
CID 11012900
[(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-triphenylsilane
CID 15935891
[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane
CID 15935893
[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tri(propan-2-yl)silane
CID 15935895
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-diphenylsilane
CID 16081893
(2R)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-3-methylbutan-2-ol
CID 25038741

Frequently Asked Questions

What is the IUPAC name of [(E,2R,3R)-1-(benzenesulfonyl)-2,4-dimethylhex-4-en-3-yl]oxy-tert-butyl-diphenylsilane?
The IUPAC name of [(E,2R,3R)-1-(benzenesulfonyl)-2,4-dimethylhex-4-en-3-yl]oxy-tert-butyl-diphenylsilane (CID 10929270) is [(E,2R,3R)-1-(benzenesulfonyl)-2,4-dimethylhex-4-en-3-yl]oxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(E,2R,3R)-1-(benzenesulfonyl)-2,4-dimethylhex-4-en-3-yl]oxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(E,2R,3R)-1-(benzenesulfonyl)-2,4-dimethylhex-4-en-3-yl]oxy-tert-butyl-diphenylsilane is C/C=C(\C)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)CS(=O)(=O)c1ccccc1.
What is the InChIKey of [(E,2R,3R)-1-(benzenesulfonyl)-2,4-dimethylhex-4-en-3-yl]oxy-tert-butyl-diphenylsilane?
The InChIKey is CCJNTVWBUAZREP-VXVAISENSA-N. The full InChI is InChI=1S/C30H38O3SSi/c1-7-24(2)29(25(3)23-34(31,32)26-17-11-8-12-18-26)33-35(30(4,5)6,27-19-13-9-14-20-27)28-21-15-10-16-22-28/h7-22,25,29H,23H2,1-6H3/b24-7+/t25-,29-/m0/s1.
What are the key properties of [(E,2R,3R)-1-(benzenesulfonyl)-2,4-dimethylhex-4-en-3-yl]oxy-tert-butyl-diphenylsilane?
[(E,2R,3R)-1-(benzenesulfonyl)-2,4-dimethylhex-4-en-3-yl]oxy-tert-butyl-diphenylsilane has a molecular weight of 506.78 g/mol, XLogP of 6.01, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2R,3R)-1-(benzenesulfonyl)-2,4-dimethylhex-4-en-3-yl]oxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 10929270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).