(2-methylpropan-2-yl)oxy 4-methoxybenzenesulfonate

C11H16O5S — CID 24972903

IUPAC(2-methylpropan-2-yl)oxy 4-methoxybenzenesulfonate
SMILESCOc1ccc(S(=O)(=O)OOC(C)(C)C)cc1
InChIInChI=1S/C11H16O5S/c1-11(2,3)15-16-17(12,13)10-7-5-9(14-4)6-8-10/h5-8H,1-4H3
InChIKeySGNINBJCSHPLBA-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.13
Rot. Bonds4

About (2-methylpropan-2-yl)oxy 4-methoxybenzenesulfonate

(2-methylpropan-2-yl)oxy 4-methoxybenzenesulfonate (PubChem CID 24972903) has the molecular formula C11H16O5S and a molecular weight of 260.31 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxy 4-methoxybenzenesulfonate.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxy 4-methoxybenzenesulfonate
PubChem CID24972903
Molecular FormulaC11H16O5S
Molecular Weight260.31 g/mol
Exact Mass260.07
IUPAC Name(2-methylpropan-2-yl)oxy 4-methoxybenzenesulfonate
SMILESCOc1ccc(S(=O)(=O)OOC(C)(C)C)cc1
InChIInChI=1S/C11H16O5S/c1-11(2,3)15-16-17(12,13)10-7-5-9(14-4)6-8-10/h5-8H,1-4H3
InChIKeySGNINBJCSHPLBA-UHFFFAOYSA-N
XLogP2.13
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
4-methoxybenzenesulfonyl iodide
CID 23080708
trityl 4-methoxybenzenesulfonate
CID 139948091
[3-[4-(4-methoxyphenyl)phenyl]sulfonyloxy-2,2-bis[[4-(4-methoxyphenyl)phenyl]sulfonyloxymethyl]propyl] 4-(4-methoxyphenyl)benzenesulfonate
CID 23726441
2-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-amine
CID 115045053
7-methoxynaphthalene-2-sulfonyl chloride
CID 10515266
CID 102373172
CID 102373172
3-(4-methoxyphenyl)sulfonyl-3-methylbutan-2-amine
CID 115048069
hydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane
CID 6912594
potassium;hydride;4-methoxybenzenesulfonamide
CID 173359933
iron;6-methoxynaphthalene-2-sulfonic acid
CID 87610362
N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 115303620

Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxy 4-methoxybenzenesulfonate?
The IUPAC name of (2-methylpropan-2-yl)oxy 4-methoxybenzenesulfonate (CID 24972903) is (2-methylpropan-2-yl)oxy 4-methoxybenzenesulfonate.
What is the SMILES notation for (2-methylpropan-2-yl)oxy 4-methoxybenzenesulfonate?
The canonical SMILES for (2-methylpropan-2-yl)oxy 4-methoxybenzenesulfonate is COc1ccc(S(=O)(=O)OOC(C)(C)C)cc1.
What is the InChIKey of (2-methylpropan-2-yl)oxy 4-methoxybenzenesulfonate?
The InChIKey is SGNINBJCSHPLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5S/c1-11(2,3)15-16-17(12,13)10-7-5-9(14-4)6-8-10/h5-8H,1-4H3.
What are the key properties of (2-methylpropan-2-yl)oxy 4-methoxybenzenesulfonate?
(2-methylpropan-2-yl)oxy 4-methoxybenzenesulfonate has a molecular weight of 260.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxy 4-methoxybenzenesulfonate is sourced from PubChem (CID 24972903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).