[2,6-di(propan-2-yl)phenoxy]sulfonyl acetate

C14H20O5S — CID 57208791

IUPAC[2,6-di(propan-2-yl)phenoxy]sulfonyl acetate
SMILESCC(=O)OS(=O)(=O)Oc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C14H20O5S/c1-9(2)12-7-6-8-13(10(3)4)14(12)19-20(16,17)18-11(5)15/h6-10H,1-5H3
InChIKeyLEGKPGODBKOFST-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.12
Rot. Bonds5

About [2,6-di(propan-2-yl)phenoxy]sulfonyl acetate

[2,6-di(propan-2-yl)phenoxy]sulfonyl acetate (PubChem CID 57208791) has the molecular formula C14H20O5S and a molecular weight of 300.38 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenoxy]sulfonyl acetate.

Molecular Properties

Compound Name[2,6-di(propan-2-yl)phenoxy]sulfonyl acetate
PubChem CID57208791
Molecular FormulaC14H20O5S
Molecular Weight300.38 g/mol
Exact Mass300.10
IUPAC Name[2,6-di(propan-2-yl)phenoxy]sulfonyl acetate
SMILESCC(=O)OS(=O)(=O)Oc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C14H20O5S/c1-9(2)12-7-6-8-13(10(3)4)14(12)19-20(16,17)18-11(5)15/h6-10H,1-5H3
InChIKeyLEGKPGODBKOFST-UHFFFAOYSA-N
XLogP3.12
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 172616842
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calcium;hydride;3-propan-2-yl-2-propan-2-yloxybenzoic acid
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(3-acetyl-2-oxo-8-propan-2-yl-1H-quinolin-4-yl) methyl sulfate
CID 19926894
[2,6-di(propan-2-yl)benzoyl] 2,6-di(propan-2-yl)benzenecarboperoxoate
CID 141216683
1-propan-2-ylnaphthalene;sulfuric acid
CID 70424781
[2,6-bis(2-propan-2-ylphenyl)phenyl] acetate
CID 101088092
(1E)-N-[2,6-di(propan-2-yl)phenoxy]sulfonyl-1-ethoxymethanimidate
CID 91929423
(5-propan-2-ylnaphthalen-2-yl) acetate
CID 23110894
(4-fluorophenyl) N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate
CID 10834516
[2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate
CID 117064047
bis[2,6-di(propan-2-yl)phenoxy]-methylalumane
CID 16715532

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenoxy]sulfonyl acetate?
The IUPAC name of [2,6-di(propan-2-yl)phenoxy]sulfonyl acetate (CID 57208791) is [2,6-di(propan-2-yl)phenoxy]sulfonyl acetate.
What is the SMILES notation for [2,6-di(propan-2-yl)phenoxy]sulfonyl acetate?
The canonical SMILES for [2,6-di(propan-2-yl)phenoxy]sulfonyl acetate is CC(=O)OS(=O)(=O)Oc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of [2,6-di(propan-2-yl)phenoxy]sulfonyl acetate?
The InChIKey is LEGKPGODBKOFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5S/c1-9(2)12-7-6-8-13(10(3)4)14(12)19-20(16,17)18-11(5)15/h6-10H,1-5H3.
What are the key properties of [2,6-di(propan-2-yl)phenoxy]sulfonyl acetate?
[2,6-di(propan-2-yl)phenoxy]sulfonyl acetate has a molecular weight of 300.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)phenoxy]sulfonyl acetate is sourced from PubChem (CID 57208791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).