[(2S,4S)-4-(benzenesulfonyl)-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-en-2-yl]methoxy-tert-butyl-dimethylsilane

C23H34O5SSi — CID 134840177

IUPAC[(2S,4S)-4-(benzenesulfonyl)-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-en-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C[C@]1(CO[Si](C)(C)C(C)(C)C)C[C@H](S(=O)(=O)c2ccccc2)C2(C=CCCO2)O1
InChIInChI=1S/C23H34O5SSi/c1-7-22(18-27-30(5,6)21(2,3)4)17-20(23(28-22)15-11-12-16-26-23)29(24,25)19-13-9-8-10-14-19/h7-11,13-15,20H,1,12,16-18H2,2-6H3/t20-,22+,23?/m0/s1
InChIKeyDMXPAWWELWKSBQ-PDOMDSBESA-N
MW450.67 g/mol
LogP4.87
Rot. Bonds6

About [(2S,4S)-4-(benzenesulfonyl)-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-en-2-yl]methoxy-tert-butyl-dimethylsilane

[(2S,4S)-4-(benzenesulfonyl)-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-en-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 134840177) has the molecular formula C23H34O5SSi and a molecular weight of 450.67 g/mol. Its IUPAC name is [(2S,4S)-4-(benzenesulfonyl)-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-en-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,4S)-4-(benzenesulfonyl)-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-en-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID134840177
Molecular FormulaC23H34O5SSi
Molecular Weight450.67 g/mol
Exact Mass450.19
IUPAC Name[(2S,4S)-4-(benzenesulfonyl)-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-en-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C[C@]1(CO[Si](C)(C)C(C)(C)C)C[C@H](S(=O)(=O)c2ccccc2)C2(C=CCCO2)O1
InChIInChI=1S/C23H34O5SSi/c1-7-22(18-27-30(5,6)21(2,3)4)17-20(23(28-22)15-11-12-16-26-23)29(24,25)19-13-9-8-10-14-19/h7-11,13-15,20H,1,12,16-18H2,2-6H3/t20-,22+,23?/m0/s1
InChIKeyDMXPAWWELWKSBQ-PDOMDSBESA-N
XLogP4.87
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.67
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[(2E)-2-[(2S,3S,5S,6R)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-2-methoxy-3,5-bis(triethylsilyloxy)-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-4-ylidene]ethoxy]-triethylsilane
CID 11491406
[(4S)-5-(benzenesulfonyl)-4-but-3-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methoxy-tert-butyl-dimethylsilane
CID 134840173
[(4S)-5-(benzenesulfonyl)-4-cyclopent-3-en-1-yloxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methoxy-tert-butyl-dimethylsilane
CID 134840174
[(E)-4-[(2S,6S)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,5-dihydropyran-2-yl]but-3-enoxy]-tri(propan-2-yl)silane
CID 134886730
(4R)-3-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylpentan-2-ol
CID 134940080
2-[(7S,8S,9S)-9-[2-(benzenesulfonyl)ethyl]-8-ethenyl-1,6,10-trioxaspiro[4.5]decan-7-yl]ethoxy-tert-butyl-dimethylsilane
CID 134970403
tert-butyl-[[(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[2-(4-methylphenyl)sulfonylethyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
CID 10672904
tert-butyl-[[(2S,6S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[2-(4-methylphenyl)sulfonylethyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
CID 10696611
[(2S)-2-[(4S,5S)-5-[(2R)-1-(benzenesulfinyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane
CID 11015683
tert-butyl-[[(2R,6R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[3-(4-methylphenyl)sulfonylpropyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
CID 11038522
[(2S,3R,4R)-5-(benzenesulfonyl)-2-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane
CID 11376890
[(2S)-2-[(4S,5S)-5-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane
CID 11826591

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-(benzenesulfonyl)-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-en-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,4S)-4-(benzenesulfonyl)-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-en-2-yl]methoxy-tert-butyl-dimethylsilane (CID 134840177) is [(2S,4S)-4-(benzenesulfonyl)-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-en-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,4S)-4-(benzenesulfonyl)-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-en-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,4S)-4-(benzenesulfonyl)-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-en-2-yl]methoxy-tert-butyl-dimethylsilane is C=C[C@]1(CO[Si](C)(C)C(C)(C)C)C[C@H](S(=O)(=O)c2ccccc2)C2(C=CCCO2)O1.
What is the InChIKey of [(2S,4S)-4-(benzenesulfonyl)-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-en-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is DMXPAWWELWKSBQ-PDOMDSBESA-N. The full InChI is InChI=1S/C23H34O5SSi/c1-7-22(18-27-30(5,6)21(2,3)4)17-20(23(28-22)15-11-12-16-26-23)29(24,25)19-13-9-8-10-14-19/h7-11,13-15,20H,1,12,16-18H2,2-6H3/t20-,22+,23?/m0/s1.
What are the key properties of [(2S,4S)-4-(benzenesulfonyl)-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-en-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2S,4S)-4-(benzenesulfonyl)-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-en-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 450.67 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-(benzenesulfonyl)-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-en-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134840177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).