ethyl 2-methyl-2-(oxan-4-ylsulfonyl)propanoate

C11H20O5S — CID 59703977

IUPACethyl 2-methyl-2-(oxan-4-ylsulfonyl)propanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H20O5S/c1-4-16-10(12)11(2,3)17(13,14)9-5-7-15-8-6-9/h9H,4-8H2,1-3H3
InChIKeyBJZYOKPNWSLKEH-UHFFFAOYSA-N
MW264.34 g/mol
LogP0.92
Rot. Bonds4

About ethyl 2-methyl-2-(oxan-4-ylsulfonyl)propanoate

ethyl 2-methyl-2-(oxan-4-ylsulfonyl)propanoate (PubChem CID 59703977) has the molecular formula C11H20O5S and a molecular weight of 264.34 g/mol. Its IUPAC name is ethyl 2-methyl-2-(oxan-4-ylsulfonyl)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(oxan-4-ylsulfonyl)propanoate
PubChem CID59703977
Molecular FormulaC11H20O5S
Molecular Weight264.34 g/mol
Exact Mass264.10
IUPAC Nameethyl 2-methyl-2-(oxan-4-ylsulfonyl)propanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H20O5S/c1-4-16-10(12)11(2,3)17(13,14)9-5-7-15-8-6-9/h9H,4-8H2,1-3H3
InChIKeyBJZYOKPNWSLKEH-UHFFFAOYSA-N
XLogP0.92
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(oxan-4-ylsulfonyl)propanoate?
The IUPAC name of ethyl 2-methyl-2-(oxan-4-ylsulfonyl)propanoate (CID 59703977) is ethyl 2-methyl-2-(oxan-4-ylsulfonyl)propanoate.
What is the SMILES notation for ethyl 2-methyl-2-(oxan-4-ylsulfonyl)propanoate?
The canonical SMILES for ethyl 2-methyl-2-(oxan-4-ylsulfonyl)propanoate is CCOC(=O)C(C)(C)S(=O)(=O)C1CCOCC1.
What is the InChIKey of ethyl 2-methyl-2-(oxan-4-ylsulfonyl)propanoate?
The InChIKey is BJZYOKPNWSLKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5S/c1-4-16-10(12)11(2,3)17(13,14)9-5-7-15-8-6-9/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-(oxan-4-ylsulfonyl)propanoate?
ethyl 2-methyl-2-(oxan-4-ylsulfonyl)propanoate has a molecular weight of 264.34 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(oxan-4-ylsulfonyl)propanoate is sourced from PubChem (CID 59703977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).