2-trimethylsilylethyl (4-methylphenyl)sulfonylformate

C13H20O4SSi — CID 175391313

IUPAC2-trimethylsilylethyl (4-methylphenyl)sulfonylformate
SMILESCc1ccc(S(=O)(=O)C(=O)OCC[Si](C)(C)C)cc1
InChIInChI=1S/C13H20O4SSi/c1-11-5-7-12(8-6-11)18(15,16)13(14)17-9-10-19(2,3)4/h5-8H,9-10H2,1-4H3
InChIKeyMRUMOGIBFZIEDX-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.24
Rot. Bonds4

About 2-trimethylsilylethyl (4-methylphenyl)sulfonylformate

2-trimethylsilylethyl (4-methylphenyl)sulfonylformate (PubChem CID 175391313) has the molecular formula C13H20O4SSi and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-trimethylsilylethyl (4-methylphenyl)sulfonylformate.

Molecular Properties

Compound Name2-trimethylsilylethyl (4-methylphenyl)sulfonylformate
PubChem CID175391313
Molecular FormulaC13H20O4SSi
Molecular Weight300.45 g/mol
Exact Mass300.09
IUPAC Name2-trimethylsilylethyl (4-methylphenyl)sulfonylformate
SMILESCc1ccc(S(=O)(=O)C(=O)OCC[Si](C)(C)C)cc1
InChIInChI=1S/C13H20O4SSi/c1-11-5-7-12(8-6-11)18(15,16)13(14)17-9-10-19(2,3)4/h5-8H,9-10H2,1-4H3
InChIKeyMRUMOGIBFZIEDX-UHFFFAOYSA-N
XLogP3.24
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methylbenzenesulfonate;2-trimethylsilylethyl N-(azetidin-3-yl)carbamate
CID 21090421
tert-butyl (4-methylphenyl)sulfonylformate
CID 175694801
(4-methylphenyl)-oxido-(2-trimethylsilylethoxycarbonylamino)sulfanium
CID 171661696
4-methylbenzenesulfonic acid;3-trimethylsilylpropan-1-ol
CID 71319867
2-trimethylsilylethyl 3-[1-(4-methylphenyl)sulfonyloxy-4-oxoazetidin-2-yl]propanoate
CID 10884166
(4-methylphenyl)sulfonylformyl chloride
CID 12530344
bis[2-(4-methylphenyl)sulfonylethyl] oxalate
CID 58807069
bis-(4-methylphenyl)sulfonylmethylidenehydrazine
CID 154263261
1-(4-methylphenyl)sulfonylethenamine
CID 57364782
2-(4-methylphenyl)sulfonylethyl carbonochloridate
CID 14310587
diethyl 2-[(E)-2-(4-methylphenyl)sulfonyl-2-methylsulfanylethenyl]propanedioate
CID 10992676
4-(4-methylphenyl)sulfonyloxybutyl propanoate
CID 88500429

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (4-methylphenyl)sulfonylformate?
The IUPAC name of 2-trimethylsilylethyl (4-methylphenyl)sulfonylformate (CID 175391313) is 2-trimethylsilylethyl (4-methylphenyl)sulfonylformate.
What is the SMILES notation for 2-trimethylsilylethyl (4-methylphenyl)sulfonylformate?
The canonical SMILES for 2-trimethylsilylethyl (4-methylphenyl)sulfonylformate is Cc1ccc(S(=O)(=O)C(=O)OCC[Si](C)(C)C)cc1.
What is the InChIKey of 2-trimethylsilylethyl (4-methylphenyl)sulfonylformate?
The InChIKey is MRUMOGIBFZIEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4SSi/c1-11-5-7-12(8-6-11)18(15,16)13(14)17-9-10-19(2,3)4/h5-8H,9-10H2,1-4H3.
What are the key properties of 2-trimethylsilylethyl (4-methylphenyl)sulfonylformate?
2-trimethylsilylethyl (4-methylphenyl)sulfonylformate has a molecular weight of 300.45 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl (4-methylphenyl)sulfonylformate is sourced from PubChem (CID 175391313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).