[3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl 4-methylbenzenesulfonate

C25H50O8SSi4 — CID 609210

IUPAC[3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl 4-methylbenzenesulfonate
SMILESCc1ccc(S(=O)(=O)OCC2OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)cc1
InChIInChI=1S/C25H50O8SSi4/c1-19-14-16-20(17-15-19)34(26,27)28-18-21-22(30-35(2,3)4)23(31-36(5,6)7)24(32-37(8,9)10)25(29-21)33-38(11,12)13/h14-17,21-25H,18H2,1-13H3
InChIKeyZFGBRGPBOHDDJG-UHFFFAOYSA-N
MW623.08 g/mol
LogP5.94
Rot. Bonds12

About [3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl 4-methylbenzenesulfonate

[3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl 4-methylbenzenesulfonate (PubChem CID 609210) has the molecular formula C25H50O8SSi4 and a molecular weight of 623.08 g/mol. Its IUPAC name is [3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl 4-methylbenzenesulfonate.

Molecular Properties

Compound Name[3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl 4-methylbenzenesulfonate
PubChem CID609210
Molecular FormulaC25H50O8SSi4
Molecular Weight623.08 g/mol
Exact Mass622.23
IUPAC Name[3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl 4-methylbenzenesulfonate
SMILESCc1ccc(S(=O)(=O)OCC2OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)cc1
InChIInChI=1S/C25H50O8SSi4/c1-19-14-16-20(17-15-19)34(26,27)28-18-21-22(30-35(2,3)4)23(31-36(5,6)7)24(32-37(8,9)10)25(29-21)33-38(11,12)13/h14-17,21-25H,18H2,1-13H3
InChIKeyZFGBRGPBOHDDJG-UHFFFAOYSA-N
XLogP5.94
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.08
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl 4-methylbenzenesulfonate 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

Toluene-4-sulfonic acid 8-methyl-tetrahydro-1,3,5,7-tetraoxa-benzocyclohepten-9-yl ester
CID 345984
[(2S,3S,4R,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-methylbenzenesulfonate
CID 90672355
[6-Methoxy-3,4-bis-(4-methylphenyl)sulfonyloxyoxan-2-yl]methyl 4-methylbenzenesulfonate
CID 359615
[4,5,6-Triacetyloxy-2-[(4-methylphenyl)sulfonyloxymethyl]oxan-3-yl] acetate
CID 230399
Methyl 2,3-o-(1-methylethylidene)-4-o-[(4-methylphenyl)sulfonyl]pentopyranoside
CID 253937
2-({1,3-Bis[(4-methylbenzenesulfonyl)oxy]propan-2-yl}oxy)oxane
CID 2737268
Methyl 6-o-tosyl-alpha-d-glucopyranoside
CID 11142582
(2R)-2-(tetrahydro-2H-pyran-2-yloxy)propyl 4-methylbenzenesulfonate
CID 12778177
Tos-PEG4-THP
CID 13558887
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl 4-methylbenzenesulfonate
CID 21770301
2-[(2R)-1-octadecoxy-3-(oxan-2-yloxy)propan-2-yl]oxyethyl 4-methylbenzenesulfonate
CID 58641131
[(3S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl 4-methylbenzenesulfonate
CID 118450151

Frequently Asked Questions

What is the IUPAC name of [3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl 4-methylbenzenesulfonate?
The IUPAC name of [3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl 4-methylbenzenesulfonate (CID 609210) is [3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl 4-methylbenzenesulfonate.
What is the SMILES notation for [3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl 4-methylbenzenesulfonate?
The canonical SMILES for [3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl 4-methylbenzenesulfonate is Cc1ccc(S(=O)(=O)OCC2OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)cc1.
What is the InChIKey of [3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl 4-methylbenzenesulfonate?
The InChIKey is ZFGBRGPBOHDDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O8SSi4/c1-19-14-16-20(17-15-19)34(26,27)28-18-21-22(30-35(2,3)4)23(31-36(5,6)7)24(32-37(8,9)10)25(29-21)33-38(11,12)13/h14-17,21-25H,18H2,1-13H3.
What are the key properties of [3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl 4-methylbenzenesulfonate?
[3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl 4-methylbenzenesulfonate has a molecular weight of 623.08 g/mol, XLogP of 5.94, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl 4-methylbenzenesulfonate is sourced from PubChem (CID 609210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).