5-ethylsulfonyl-1-propan-2-yloxypentan-2-one

C10H20O4S — CID 105103983

IUPAC5-ethylsulfonyl-1-propan-2-yloxypentan-2-one
SMILESCCS(=O)(=O)CCCC(=O)COC(C)C
InChIInChI=1S/C10H20O4S/c1-4-15(12,13)7-5-6-10(11)8-14-9(2)3/h9H,4-8H2,1-3H3
InChIKeyAAEWDFBDGSZPLZ-UHFFFAOYSA-N
MW236.33 g/mol
LogP1.20
Rot. Bonds8

About 5-ethylsulfonyl-1-propan-2-yloxypentan-2-one

5-ethylsulfonyl-1-propan-2-yloxypentan-2-one (PubChem CID 105103983) has the molecular formula C10H20O4S and a molecular weight of 236.33 g/mol. Its IUPAC name is 5-ethylsulfonyl-1-propan-2-yloxypentan-2-one.

Molecular Properties

Compound Name5-ethylsulfonyl-1-propan-2-yloxypentan-2-one
PubChem CID105103983
Molecular FormulaC10H20O4S
Molecular Weight236.33 g/mol
Exact Mass236.11
IUPAC Name5-ethylsulfonyl-1-propan-2-yloxypentan-2-one
SMILESCCS(=O)(=O)CCCC(=O)COC(C)C
InChIInChI=1S/C10H20O4S/c1-4-15(12,13)7-5-6-10(11)8-14-9(2)3/h9H,4-8H2,1-3H3
InChIKeyAAEWDFBDGSZPLZ-UHFFFAOYSA-N
XLogP1.20
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-1-propan-2-yloxypentan-2-one?
The IUPAC name of 5-ethylsulfonyl-1-propan-2-yloxypentan-2-one (CID 105103983) is 5-ethylsulfonyl-1-propan-2-yloxypentan-2-one.
What is the SMILES notation for 5-ethylsulfonyl-1-propan-2-yloxypentan-2-one?
The canonical SMILES for 5-ethylsulfonyl-1-propan-2-yloxypentan-2-one is CCS(=O)(=O)CCCC(=O)COC(C)C.
What is the InChIKey of 5-ethylsulfonyl-1-propan-2-yloxypentan-2-one?
The InChIKey is AAEWDFBDGSZPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4S/c1-4-15(12,13)7-5-6-10(11)8-14-9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 5-ethylsulfonyl-1-propan-2-yloxypentan-2-one?
5-ethylsulfonyl-1-propan-2-yloxypentan-2-one has a molecular weight of 236.33 g/mol, XLogP of 1.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-1-propan-2-yloxypentan-2-one is sourced from PubChem (CID 105103983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).