2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol

C26H44O5SSi2 — CID 138980719

IUPAC2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol
SMILESCC[Si](CC)(CC)/C(=C/C1OC(CO[Si](C)(C)C(C)(C)C)C=CC1O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H44O5SSi2/c1-9-34(10-2,11-3)25(32(28,29)22-15-13-12-14-16-22)19-24-23(27)18-17-21(31-24)20-30-33(7,8)26(4,5)6/h12-19,21,23-24,27H,9-11,20H2,1-8H3/b25-19+
InChIKeyIFAHAYNOWNEUOB-NCELDCMTSA-N
MW524.87 g/mol
LogP6.10
Rot. Bonds10

About 2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol

2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol (PubChem CID 138980719) has the molecular formula C26H44O5SSi2 and a molecular weight of 524.87 g/mol. Its IUPAC name is 2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol
PubChem CID138980719
Molecular FormulaC26H44O5SSi2
Molecular Weight524.87 g/mol
Exact Mass524.24
IUPAC Name2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol
SMILESCC[Si](CC)(CC)/C(=C/C1OC(CO[Si](C)(C)C(C)(C)C)C=CC1O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H44O5SSi2/c1-9-34(10-2,11-3)25(32(28,29)22-15-13-12-14-16-22)19-24-23(27)18-17-21(31-24)20-30-33(7,8)26(4,5)6/h12-19,21,23-24,27H,9-11,20H2,1-8H3/b25-19+
InChIKeyIFAHAYNOWNEUOB-NCELDCMTSA-N
XLogP6.10
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.87
LogP ≤ 56.10
H-Bond Donors ≤ 51
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

(1R,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 340334
(1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 13174095
[(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
(Z,1R)-3-(benzenesulfonyl)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-3-[dimethyl(phenyl)silyl]prop-2-en-1-ol
CID 135012774
[(Z)-1-(benzenesulfonyl)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]ethenyl]-triethylsilane
CID 138980717
2-[(2S)-1-(benzenesulfonyl)but-3-yn-2-yl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol
CID 138980718
2-[(2R)-1-(benzenesulfonyl)but-3-yn-2-yl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol
CID 138980720
2-(Benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 4593530
Nlyvbpgsbmwamx-brwvuggusa-
CID 14408016
(2Z,4R,6Z,8E,12E,15S,16E,18Z)-11-(benzenesulfonyl)-20-[tert-butyl(dimethyl)silyl]oxy-18-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-3,15-dimethylicosa-2,6,8,12,16,18-hexaen-1-ol
CID 11205022
(2R,3S,4S)-6-(benzenesulfonyl)-3-tert-butylsilyl-2-(tert-butylsilyloxymethyl)-4-tri(propan-2-yl)silyloxy-2H-pyran-3,4-diol
CID 175071529

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of 2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol (CID 138980719) is 2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for 2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for 2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol is CC[Si](CC)(CC)/C(=C/C1OC(CO[Si](C)(C)C(C)(C)C)C=CC1O)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is IFAHAYNOWNEUOB-NCELDCMTSA-N. The full InChI is InChI=1S/C26H44O5SSi2/c1-9-34(10-2,11-3)25(32(28,29)22-15-13-12-14-16-22)19-24-23(27)18-17-21(31-24)20-30-33(7,8)26(4,5)6/h12-19,21,23-24,27H,9-11,20H2,1-8H3/b25-19+.
What are the key properties of 2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol?
2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 524.87 g/mol, XLogP of 6.10, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 138980719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).