[(Z)-1-(benzenesulfonyl)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]ethenyl]-triethylsilane

C29H52O5SSi3 — CID 138980717

IUPAC[(Z)-1-(benzenesulfonyl)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]ethenyl]-triethylsilane
SMILESCC[Si](CC)(CC)/C(=C/C1OC(CO[Si](C)(C)C(C)(C)C)C=CC1O[Si](C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C29H52O5SSi3/c1-12-38(13-2,14-3)28(35(30,31)25-18-16-15-17-19-25)22-27-26(34-36(7,8)9)21-20-24(33-27)23-32-37(10,11)29(4,5)6/h15-22,24,26-27H,12-14,23H2,1-11H3/b28-22+
InChIKeyHQJWOPHLLWKHCS-XAYXJRQQSA-N
MW597.06 g/mol
LogP7.96
Rot. Bonds12

About [(Z)-1-(benzenesulfonyl)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]ethenyl]-triethylsilane

[(Z)-1-(benzenesulfonyl)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]ethenyl]-triethylsilane (PubChem CID 138980717) has the molecular formula C29H52O5SSi3 and a molecular weight of 597.06 g/mol. Its IUPAC name is [(Z)-1-(benzenesulfonyl)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]ethenyl]-triethylsilane.

Molecular Properties

Compound Name[(Z)-1-(benzenesulfonyl)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]ethenyl]-triethylsilane
PubChem CID138980717
Molecular FormulaC29H52O5SSi3
Molecular Weight597.06 g/mol
Exact Mass596.28
IUPAC Name[(Z)-1-(benzenesulfonyl)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]ethenyl]-triethylsilane
SMILESCC[Si](CC)(CC)/C(=C/C1OC(CO[Si](C)(C)C(C)(C)C)C=CC1O[Si](C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C29H52O5SSi3/c1-12-38(13-2,14-3)28(35(30,31)25-18-16-15-17-19-25)22-27-26(34-36(7,8)9)21-20-24(33-27)23-32-37(10,11)29(4,5)6/h15-22,24,26-27H,12-14,23H2,1-11H3/b28-22+
InChIKeyHQJWOPHLLWKHCS-XAYXJRQQSA-N
XLogP7.96
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.06
LogP ≤ 57.96
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

[(1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 340333
[(Z)-1-(benzenesulfonyl)-2-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-2-yl]ethenyl]-triethylsilane
CID 11092607
[(3R,4R)-6-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane
CID 21607909
(1S)-5-(benzenesulfonyl)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclopent-3-en-1-yloxycyclohexa-2,4-dien-1-ol
CID 101535670
[(1R)-3-(benzenesulfonyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101872588
2-[(2S,6R)-2-[(2R)-3-(benzenesulfonyl)-2-methylpropyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane
CID 102127109
[(2R,3S)-5-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 102475785
TBDMS(-3)[TBDMS(-4)][TBDMS(-6)]2-deoxy-D-araHex(a)-Bes
CID 134878493
TBDMS(-3)[Et(-4)][TBDMS(-6)]2-deoxy-D-araHex(b)-Bes
CID 134882863
TBDMS(-3)[TBDMS(-4)][TBDMS(-6)]2-deoxy-D-araHex-Bes
CID 134882885
[(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
[(2S,3R,7Z)-5,5-bis(benzenesulfonyl)-9-ethyl-2-methyl-3,4,6,9-tetrahydro-2H-oxonin-3-yl]oxy-trimethylsilane
CID 134927843

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(benzenesulfonyl)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]ethenyl]-triethylsilane?
The IUPAC name of [(Z)-1-(benzenesulfonyl)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]ethenyl]-triethylsilane (CID 138980717) is [(Z)-1-(benzenesulfonyl)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]ethenyl]-triethylsilane.
What is the SMILES notation for [(Z)-1-(benzenesulfonyl)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]ethenyl]-triethylsilane?
The canonical SMILES for [(Z)-1-(benzenesulfonyl)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]ethenyl]-triethylsilane is CC[Si](CC)(CC)/C(=C/C1OC(CO[Si](C)(C)C(C)(C)C)C=CC1O[Si](C)(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(Z)-1-(benzenesulfonyl)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]ethenyl]-triethylsilane?
The InChIKey is HQJWOPHLLWKHCS-XAYXJRQQSA-N. The full InChI is InChI=1S/C29H52O5SSi3/c1-12-38(13-2,14-3)28(35(30,31)25-18-16-15-17-19-25)22-27-26(34-36(7,8)9)21-20-24(33-27)23-32-37(10,11)29(4,5)6/h15-22,24,26-27H,12-14,23H2,1-11H3/b28-22+.
What are the key properties of [(Z)-1-(benzenesulfonyl)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]ethenyl]-triethylsilane?
[(Z)-1-(benzenesulfonyl)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]ethenyl]-triethylsilane has a molecular weight of 597.06 g/mol, XLogP of 7.96, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(benzenesulfonyl)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]ethenyl]-triethylsilane is sourced from PubChem (CID 138980717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).