[(2R,3S,7E,9R)-5,5-bis(benzenesulfonyl)-9-ethyl-2-methyl-3,4,6,9-tetrahydro-2H-oxonin-3-yl]oxy-trimethylsilane

C26H36O6S2Si — CID 11135298

IUPAC[(2R,3S,7E,9R)-5,5-bis(benzenesulfonyl)-9-ethyl-2-methyl-3,4,6,9-tetrahydro-2H-oxonin-3-yl]oxy-trimethylsilane
SMILESCC[C@@H]1/C=C/CC(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)C[C@H](O[Si](C)(C)C)[C@@H](C)O1
InChIInChI=1S/C26H36O6S2Si/c1-6-22-14-13-19-26(33(27,28)23-15-9-7-10-16-23,34(29,30)24-17-11-8-12-18-24)20-25(21(2)31-22)32-35(3,4)5/h7-18,21-22,25H,6,19-20H2,1-5H3/b14-13+/t21-,22-,25+/m1/s1
InChIKeyVEVPDQYYWFQFII-YWUWNQRYSA-N
MW536.79 g/mol
LogP5.38
Rot. Bonds7

About [(2R,3S,7E,9R)-5,5-bis(benzenesulfonyl)-9-ethyl-2-methyl-3,4,6,9-tetrahydro-2H-oxonin-3-yl]oxy-trimethylsilane

[(2R,3S,7E,9R)-5,5-bis(benzenesulfonyl)-9-ethyl-2-methyl-3,4,6,9-tetrahydro-2H-oxonin-3-yl]oxy-trimethylsilane (PubChem CID 11135298) has the molecular formula C26H36O6S2Si and a molecular weight of 536.79 g/mol. Its IUPAC name is [(2R,3S,7E,9R)-5,5-bis(benzenesulfonyl)-9-ethyl-2-methyl-3,4,6,9-tetrahydro-2H-oxonin-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2R,3S,7E,9R)-5,5-bis(benzenesulfonyl)-9-ethyl-2-methyl-3,4,6,9-tetrahydro-2H-oxonin-3-yl]oxy-trimethylsilane
PubChem CID11135298
Molecular FormulaC26H36O6S2Si
Molecular Weight536.79 g/mol
Exact Mass536.17
IUPAC Name[(2R,3S,7E,9R)-5,5-bis(benzenesulfonyl)-9-ethyl-2-methyl-3,4,6,9-tetrahydro-2H-oxonin-3-yl]oxy-trimethylsilane
SMILESCC[C@@H]1/C=C/CC(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)C[C@H](O[Si](C)(C)C)[C@@H](C)O1
InChIInChI=1S/C26H36O6S2Si/c1-6-22-14-13-19-26(33(27,28)23-15-9-7-10-16-23,34(29,30)24-17-11-8-12-18-24)20-25(21(2)31-22)32-35(3,4)5/h7-18,21-22,25H,6,19-20H2,1-5H3/b14-13+/t21-,22-,25+/m1/s1
InChIKeyVEVPDQYYWFQFII-YWUWNQRYSA-N
XLogP5.38
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.79
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2R,3S,7E,9R)-5,5-bis(benzenesulfonyl)-9-ethyl-2-methyl-3,4,6,9-tetrahydro-2H-oxonin-3-yl]oxy-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,6Z,8S)-4,4-bis(benzenesulfonyl)-8-ethyl-2-hexyl-2,3,5,8-tetrahydrooxocine
CID 10918168
3,3-Bis(benzenesulfonyl)-2-ethenyloxane
CID 11761019
[(E,4S)-4-[(2R,3S)-6,6-bis(benzenesulfonyl)-3-trimethylsilyloxyhexan-2-yl]oxyhex-2-enyl] methyl carbonate
CID 102316114
[(E,4S)-4-[(2S,3R)-5,5-bis(benzenesulfonyl)-3-trimethylsilyloxypentan-2-yl]oxyhex-2-enyl] methyl carbonate
CID 134882652
[(2S,3R,7Z)-5,5-bis(benzenesulfonyl)-9-ethyl-2-methyl-3,4,6,9-tetrahydro-2H-oxonin-3-yl]oxy-trimethylsilane
CID 134927843
[(2R,3S,8E,10S)-6,6-bis(benzenesulfonyl)-10-ethyl-2-methyl-2,3,4,5,7,10-hexahydrooxecin-3-yl]oxy-trimethylsilane
CID 134928558
[(Z)-1-(benzenesulfonyl)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]ethenyl]-triethylsilane
CID 138980717
[(1S,4S)-2-(benzenesulfonyl)-4-methoxycyclohex-2-en-1-yl]-dimethyl-phenylsilane
CID 10249577
[(1R,2S,6R)-6-(benzenesulfonyl)-7-oxabicyclo[4.1.0]hept-4-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 10937445
[(Z)-4-[(2R,3S)-5,5-bis(benzenesulfonyl)-3-trimethylsilyloxypentan-2-yl]oxyhex-2-enyl] methyl carbonate
CID 10941098
[(2R,3S,7Z,9R)-5,5-bis(benzenesulfonyl)-9-ethyl-2-methyl-3,4,6,9-tetrahydro-2H-oxonin-3-yl]oxy-trimethylsilane
CID 11016961
[(2R,3S,7Z,9R)-5-(benzenesulfonyl)-9-ethyl-2-methyl-2,3,4,5,6,9-hexahydrooxonin-3-yl]oxy-tert-butyl-dimethylsilane
CID 11729858

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,7E,9R)-5,5-bis(benzenesulfonyl)-9-ethyl-2-methyl-3,4,6,9-tetrahydro-2H-oxonin-3-yl]oxy-trimethylsilane?
The IUPAC name of [(2R,3S,7E,9R)-5,5-bis(benzenesulfonyl)-9-ethyl-2-methyl-3,4,6,9-tetrahydro-2H-oxonin-3-yl]oxy-trimethylsilane (CID 11135298) is [(2R,3S,7E,9R)-5,5-bis(benzenesulfonyl)-9-ethyl-2-methyl-3,4,6,9-tetrahydro-2H-oxonin-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2R,3S,7E,9R)-5,5-bis(benzenesulfonyl)-9-ethyl-2-methyl-3,4,6,9-tetrahydro-2H-oxonin-3-yl]oxy-trimethylsilane?
The canonical SMILES for [(2R,3S,7E,9R)-5,5-bis(benzenesulfonyl)-9-ethyl-2-methyl-3,4,6,9-tetrahydro-2H-oxonin-3-yl]oxy-trimethylsilane is CC[C@@H]1/C=C/CC(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)C[C@H](O[Si](C)(C)C)[C@@H](C)O1.
What is the InChIKey of [(2R,3S,7E,9R)-5,5-bis(benzenesulfonyl)-9-ethyl-2-methyl-3,4,6,9-tetrahydro-2H-oxonin-3-yl]oxy-trimethylsilane?
The InChIKey is VEVPDQYYWFQFII-YWUWNQRYSA-N. The full InChI is InChI=1S/C26H36O6S2Si/c1-6-22-14-13-19-26(33(27,28)23-15-9-7-10-16-23,34(29,30)24-17-11-8-12-18-24)20-25(21(2)31-22)32-35(3,4)5/h7-18,21-22,25H,6,19-20H2,1-5H3/b14-13+/t21-,22-,25+/m1/s1.
What are the key properties of [(2R,3S,7E,9R)-5,5-bis(benzenesulfonyl)-9-ethyl-2-methyl-3,4,6,9-tetrahydro-2H-oxonin-3-yl]oxy-trimethylsilane?
[(2R,3S,7E,9R)-5,5-bis(benzenesulfonyl)-9-ethyl-2-methyl-3,4,6,9-tetrahydro-2H-oxonin-3-yl]oxy-trimethylsilane has a molecular weight of 536.79 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,7E,9R)-5,5-bis(benzenesulfonyl)-9-ethyl-2-methyl-3,4,6,9-tetrahydro-2H-oxonin-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 11135298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).