4-ethylsulfonyl-1-(1,4-oxathian-2-yl)butan-1-one

C10H18O4S2 — CID 79966213

IUPAC4-ethylsulfonyl-1-(1,4-oxathian-2-yl)butan-1-one
SMILESCCS(=O)(=O)CCCC(=O)C1CSCCO1
InChIInChI=1S/C10H18O4S2/c1-2-16(12,13)7-3-4-9(11)10-8-15-6-5-14-10/h10H,2-8H2,1H3
InChIKeyWUKPNHYRMLAAFP-UHFFFAOYSA-N
MW266.38 g/mol
LogP0.90
Rot. Bonds6

About 4-ethylsulfonyl-1-(1,4-oxathian-2-yl)butan-1-one

4-ethylsulfonyl-1-(1,4-oxathian-2-yl)butan-1-one (PubChem CID 79966213) has the molecular formula C10H18O4S2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(1,4-oxathian-2-yl)butan-1-one.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(1,4-oxathian-2-yl)butan-1-one
PubChem CID79966213
Molecular FormulaC10H18O4S2
Molecular Weight266.38 g/mol
Exact Mass266.06
IUPAC Name4-ethylsulfonyl-1-(1,4-oxathian-2-yl)butan-1-one
SMILESCCS(=O)(=O)CCCC(=O)C1CSCCO1
InChIInChI=1S/C10H18O4S2/c1-2-16(12,13)7-3-4-9(11)10-8-15-6-5-14-10/h10H,2-8H2,1H3
InChIKeyWUKPNHYRMLAAFP-UHFFFAOYSA-N
XLogP0.90
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-(1,4-oxathian-2-yl)butan-1-one?
The IUPAC name of 4-ethylsulfonyl-1-(1,4-oxathian-2-yl)butan-1-one (CID 79966213) is 4-ethylsulfonyl-1-(1,4-oxathian-2-yl)butan-1-one.
What is the SMILES notation for 4-ethylsulfonyl-1-(1,4-oxathian-2-yl)butan-1-one?
The canonical SMILES for 4-ethylsulfonyl-1-(1,4-oxathian-2-yl)butan-1-one is CCS(=O)(=O)CCCC(=O)C1CSCCO1.
What is the InChIKey of 4-ethylsulfonyl-1-(1,4-oxathian-2-yl)butan-1-one?
The InChIKey is WUKPNHYRMLAAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S2/c1-2-16(12,13)7-3-4-9(11)10-8-15-6-5-14-10/h10H,2-8H2,1H3.
What are the key properties of 4-ethylsulfonyl-1-(1,4-oxathian-2-yl)butan-1-one?
4-ethylsulfonyl-1-(1,4-oxathian-2-yl)butan-1-one has a molecular weight of 266.38 g/mol, XLogP of 0.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(1,4-oxathian-2-yl)butan-1-one is sourced from PubChem (CID 79966213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).