silyloxy 4-methylbenzenesulfonate

C7H10O4SSi — CID 131716836

IUPACsilyloxy 4-methylbenzenesulfonate
SMILESCc1ccc(S(=O)(=O)OO[SiH3])cc1
InChIInChI=1S/C7H10O4SSi/c1-6-2-4-7(5-3-6)12(8,9)10-11-13/h2-5H,1,13H3
InChIKeyCVXHVPGILXZIPC-UHFFFAOYSA-N
MW218.31 g/mol
LogP-0.09
Rot. Bonds3

About silyloxy 4-methylbenzenesulfonate

silyloxy 4-methylbenzenesulfonate (PubChem CID 131716836) has the molecular formula C7H10O4SSi and a molecular weight of 218.31 g/mol. Its IUPAC name is silyloxy 4-methylbenzenesulfonate.

Molecular Properties

Compound Namesilyloxy 4-methylbenzenesulfonate
PubChem CID131716836
Molecular FormulaC7H10O4SSi
Molecular Weight218.31 g/mol
Exact Mass218.01
IUPAC Namesilyloxy 4-methylbenzenesulfonate
SMILESCc1ccc(S(=O)(=O)OO[SiH3])cc1
InChIInChI=1S/C7H10O4SSi/c1-6-2-4-7(5-3-6)12(8,9)10-11-13/h2-5H,1,13H3
InChIKeyCVXHVPGILXZIPC-UHFFFAOYSA-N
XLogP-0.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

CID 172832432
CID 172832432
bis-(4-methylphenyl)sulfonyloxystibanyl 4-methylbenzenesulfonate
CID 16703717
methyl 4-methylbenzenesulfonate;hydrofluoride
CID 158630886
methyl 4-methylbenzenesulfonate;phosphane
CID 87524862
amino 4-methylbenzenesulfonate
CID 10965249
methyl 4-methylbenzenesulfonate;zinc
CID 174756808
(trichloro-lambda4-tellanyl) 4-methylbenzenesulfonate
CID 14508313
bis-(4-methylphenyl)sulfonyloxybismuthanyl 4-methylbenzenesulfonate
CID 140663364
methanidyl 4-methylbenzenesulfonate;rutherfordium
CID 169042179
(4-methylphenyl)sulfonyl sulfate
CID 23103740
methyl methanesulfonate;bis(methyl 4-methylbenzenesulfonate)
CID 159322206
deuteriomethyl 4-methylbenzenesulfonate
CID 129134824

Frequently Asked Questions

What is the IUPAC name of silyloxy 4-methylbenzenesulfonate?
The IUPAC name of silyloxy 4-methylbenzenesulfonate (CID 131716836) is silyloxy 4-methylbenzenesulfonate.
What is the SMILES notation for silyloxy 4-methylbenzenesulfonate?
The canonical SMILES for silyloxy 4-methylbenzenesulfonate is Cc1ccc(S(=O)(=O)OO[SiH3])cc1.
What is the InChIKey of silyloxy 4-methylbenzenesulfonate?
The InChIKey is CVXHVPGILXZIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4SSi/c1-6-2-4-7(5-3-6)12(8,9)10-11-13/h2-5H,1,13H3.
What are the key properties of silyloxy 4-methylbenzenesulfonate?
silyloxy 4-methylbenzenesulfonate has a molecular weight of 218.31 g/mol, XLogP of -0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for silyloxy 4-methylbenzenesulfonate is sourced from PubChem (CID 131716836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).