[(4R,7E)-9-(benzenesulfonyl)-7-methylnona-1,7-dien-4-yl]oxy-tert-butyl-dimethylsilane

C22H36O3SSi — CID 11069577

IUPAC[(4R,7E)-9-(benzenesulfonyl)-7-methylnona-1,7-dien-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CC[C@@H](CC/C(C)=C/CS(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H36O3SSi/c1-8-12-20(25-27(6,7)22(3,4)5)16-15-19(2)17-18-26(23,24)21-13-10-9-11-14-21/h8-11,13-14,17,20H,1,12,15-16,18H2,2-7H3/b19-17+/t20-/m0/s1
InChIKeyUISLSIARHWBFEV-XJZVHDHVSA-N
MW408.68 g/mol
LogP6.15
Rot. Bonds10

About [(4R,7E)-9-(benzenesulfonyl)-7-methylnona-1,7-dien-4-yl]oxy-tert-butyl-dimethylsilane

[(4R,7E)-9-(benzenesulfonyl)-7-methylnona-1,7-dien-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11069577) has the molecular formula C22H36O3SSi and a molecular weight of 408.68 g/mol. Its IUPAC name is [(4R,7E)-9-(benzenesulfonyl)-7-methylnona-1,7-dien-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4R,7E)-9-(benzenesulfonyl)-7-methylnona-1,7-dien-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11069577
Molecular FormulaC22H36O3SSi
Molecular Weight408.68 g/mol
Exact Mass408.22
IUPAC Name[(4R,7E)-9-(benzenesulfonyl)-7-methylnona-1,7-dien-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CC[C@@H](CC/C(C)=C/CS(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H36O3SSi/c1-8-12-20(25-27(6,7)22(3,4)5)16-15-19(2)17-18-26(23,24)21-13-10-9-11-14-21/h8-11,13-14,17,20H,1,12,15-16,18H2,2-7H3/b19-17+/t20-/m0/s1
InChIKeyUISLSIARHWBFEV-XJZVHDHVSA-N
XLogP6.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.68
LogP ≤ 56.15
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

[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane
CID 11164088
[(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane
CID 11602512
(2R,3S,6E)-5-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-3-ol
CID 14704706
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane
CID 162405619
Tert-butyl(dimethyl)[[(2R)-2-methyl-3-(phenylsulfonyl)propyl]oxy]silane
CID 11142051
(3S)-4-{[Tert-butyl(dimethyl)silyl]oxy}-3-methylbutyl phenyl sulfone
CID 11782846
2-(Benzenesulfonyl)heptan-3-yl methanesulfonate
CID 88843487
3-(Benzenesulfonyl)propyl-triethoxysilane
CID 90226898
(r)-3-(t-Butyldimethylsilanyloxy)butyl phenylsulfide
CID 101617074
[(3S)-1-[(2S,5R)-5-[2-(benzenesulfonyl)ethyl]-3-methylideneoxolan-2-yl]-5-methylhepta-5,6-dien-3-yl]oxy-triethylsilane
CID 141676408
Tert-butyl-dimethyl-[3-[1-[3-(trifluoromethyl)phenyl]sulfonylethyl]cyclobutyl]oxysilane
CID 68353522
[(1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 340333

Frequently Asked Questions

What is the IUPAC name of [(4R,7E)-9-(benzenesulfonyl)-7-methylnona-1,7-dien-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4R,7E)-9-(benzenesulfonyl)-7-methylnona-1,7-dien-4-yl]oxy-tert-butyl-dimethylsilane (CID 11069577) is [(4R,7E)-9-(benzenesulfonyl)-7-methylnona-1,7-dien-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4R,7E)-9-(benzenesulfonyl)-7-methylnona-1,7-dien-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4R,7E)-9-(benzenesulfonyl)-7-methylnona-1,7-dien-4-yl]oxy-tert-butyl-dimethylsilane is C=CC[C@@H](CC/C(C)=C/CS(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4R,7E)-9-(benzenesulfonyl)-7-methylnona-1,7-dien-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is UISLSIARHWBFEV-XJZVHDHVSA-N. The full InChI is InChI=1S/C22H36O3SSi/c1-8-12-20(25-27(6,7)22(3,4)5)16-15-19(2)17-18-26(23,24)21-13-10-9-11-14-21/h8-11,13-14,17,20H,1,12,15-16,18H2,2-7H3/b19-17+/t20-/m0/s1.
What are the key properties of [(4R,7E)-9-(benzenesulfonyl)-7-methylnona-1,7-dien-4-yl]oxy-tert-butyl-dimethylsilane?
[(4R,7E)-9-(benzenesulfonyl)-7-methylnona-1,7-dien-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 408.68 g/mol, XLogP of 6.15, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,7E)-9-(benzenesulfonyl)-7-methylnona-1,7-dien-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11069577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).