ethyl 2-(2-propan-2-ylsulfonylacetyl)oxyacetate

C9H16O6S — CID 89353262

IUPACethyl 2-(2-propan-2-ylsulfonylacetyl)oxyacetate
SMILESCCOC(=O)COC(=O)CS(=O)(=O)C(C)C
InChIInChI=1S/C9H16O6S/c1-4-14-8(10)5-15-9(11)6-16(12,13)7(2)3/h7H,4-6H2,1-3H3
InChIKeyOGLZGGVEZSCZFD-UHFFFAOYSA-N
MW252.29 g/mol
LogP-0.08
Rot. Bonds6

About ethyl 2-(2-propan-2-ylsulfonylacetyl)oxyacetate

ethyl 2-(2-propan-2-ylsulfonylacetyl)oxyacetate (PubChem CID 89353262) has the molecular formula C9H16O6S and a molecular weight of 252.29 g/mol. Its IUPAC name is ethyl 2-(2-propan-2-ylsulfonylacetyl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(2-propan-2-ylsulfonylacetyl)oxyacetate
PubChem CID89353262
Molecular FormulaC9H16O6S
Molecular Weight252.29 g/mol
Exact Mass252.07
IUPAC Nameethyl 2-(2-propan-2-ylsulfonylacetyl)oxyacetate
SMILESCCOC(=O)COC(=O)CS(=O)(=O)C(C)C
InChIInChI=1S/C9H16O6S/c1-4-14-8(10)5-15-9(11)6-16(12,13)7(2)3/h7H,4-6H2,1-3H3
InChIKeyOGLZGGVEZSCZFD-UHFFFAOYSA-N
XLogP-0.08
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-butylsulfonylacetate
CID 12463460
Methyl (ethylsulfonyl)(methoxy)acetate
CID 91703082
[(2R)-2-tert-butylsulfonylpropyl] acetate
CID 102426581
methyl (2S)-2-acetyloxy-2-propan-2-ylsulfanylacetate
CID 134936727
methyl (2S)-2-acetyloxy-2-butylsulfanylacetate
CID 134986034
Ethyl 2-(butane-2-sulfonyl)acetate
CID 43444432
Ethyl 2-tert-butylsulfonylacetate
CID 12078034
Ethyl 2-(2-ethoxyethylsulfonyl)acetate
CID 20543292
Propyl 2-propan-2-ylsulfonylacetate
CID 21245342
Butyl 2-propan-2-ylsulfonylacetate
CID 21245350
methyl 2-[(R)-2-(2-methoxyethoxy)ethylsulfinyl]acetate
CID 57297154
2-(2-Methoxy-2-oxoethoxy)ethanesulfonate
CID 58051853

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-propan-2-ylsulfonylacetyl)oxyacetate?
The IUPAC name of ethyl 2-(2-propan-2-ylsulfonylacetyl)oxyacetate (CID 89353262) is ethyl 2-(2-propan-2-ylsulfonylacetyl)oxyacetate.
What is the SMILES notation for ethyl 2-(2-propan-2-ylsulfonylacetyl)oxyacetate?
The canonical SMILES for ethyl 2-(2-propan-2-ylsulfonylacetyl)oxyacetate is CCOC(=O)COC(=O)CS(=O)(=O)C(C)C.
What is the InChIKey of ethyl 2-(2-propan-2-ylsulfonylacetyl)oxyacetate?
The InChIKey is OGLZGGVEZSCZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O6S/c1-4-14-8(10)5-15-9(11)6-16(12,13)7(2)3/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(2-propan-2-ylsulfonylacetyl)oxyacetate?
ethyl 2-(2-propan-2-ylsulfonylacetyl)oxyacetate has a molecular weight of 252.29 g/mol, XLogP of -0.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-propan-2-ylsulfonylacetyl)oxyacetate is sourced from PubChem (CID 89353262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).