5-ethylsulfonyl-1-methoxypentan-2-one

C8H16O4S — CID 62319823

IUPAC5-ethylsulfonyl-1-methoxypentan-2-one
SMILESCCS(=O)(=O)CCCC(=O)COC
InChIInChI=1S/C8H16O4S/c1-3-13(10,11)6-4-5-8(9)7-12-2/h3-7H2,1-2H3
InChIKeyQOQCQMKKJPQBOM-UHFFFAOYSA-N
MW208.28 g/mol
LogP0.42
Rot. Bonds7

About 5-ethylsulfonyl-1-methoxypentan-2-one

5-ethylsulfonyl-1-methoxypentan-2-one (PubChem CID 62319823) has the molecular formula C8H16O4S and a molecular weight of 208.28 g/mol. Its IUPAC name is 5-ethylsulfonyl-1-methoxypentan-2-one.

Molecular Properties

Compound Name5-ethylsulfonyl-1-methoxypentan-2-one
PubChem CID62319823
Molecular FormulaC8H16O4S
Molecular Weight208.28 g/mol
Exact Mass208.08
IUPAC Name5-ethylsulfonyl-1-methoxypentan-2-one
SMILESCCS(=O)(=O)CCCC(=O)COC
InChIInChI=1S/C8H16O4S/c1-3-13(10,11)6-4-5-8(9)7-12-2/h3-7H2,1-2H3
InChIKeyQOQCQMKKJPQBOM-UHFFFAOYSA-N
XLogP0.42
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-1-methoxypentan-2-one?
The IUPAC name of 5-ethylsulfonyl-1-methoxypentan-2-one (CID 62319823) is 5-ethylsulfonyl-1-methoxypentan-2-one.
What is the SMILES notation for 5-ethylsulfonyl-1-methoxypentan-2-one?
The canonical SMILES for 5-ethylsulfonyl-1-methoxypentan-2-one is CCS(=O)(=O)CCCC(=O)COC.
What is the InChIKey of 5-ethylsulfonyl-1-methoxypentan-2-one?
The InChIKey is QOQCQMKKJPQBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4S/c1-3-13(10,11)6-4-5-8(9)7-12-2/h3-7H2,1-2H3.
What are the key properties of 5-ethylsulfonyl-1-methoxypentan-2-one?
5-ethylsulfonyl-1-methoxypentan-2-one has a molecular weight of 208.28 g/mol, XLogP of 0.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-1-methoxypentan-2-one is sourced from PubChem (CID 62319823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).