[(2S,6R)-2-oxooxathian-6-yl] acetate

C6H10O4S — CID 134986503

IUPAC[(2S,6R)-2-oxooxathian-6-yl] acetate
SMILESCC(=O)O[C@H]1CCC[S@@](=O)O1
InChIInChI=1S/C6H10O4S/c1-5(7)9-6-3-2-4-11(8)10-6/h6H,2-4H2,1H3/t6-,11+/m1/s1
InChIKeyVXFHBAREWMYRNH-KBUNVGBDSA-N
MW178.21 g/mol
LogP0.35
Rot. Bonds1

About [(2S,6R)-2-oxooxathian-6-yl] acetate

[(2S,6R)-2-oxooxathian-6-yl] acetate (PubChem CID 134986503) has the molecular formula C6H10O4S and a molecular weight of 178.21 g/mol. Its IUPAC name is [(2S,6R)-2-oxooxathian-6-yl] acetate.

Molecular Properties

Compound Name[(2S,6R)-2-oxooxathian-6-yl] acetate
PubChem CID134986503
Molecular FormulaC6H10O4S
Molecular Weight178.21 g/mol
Exact Mass178.03
IUPAC Name[(2S,6R)-2-oxooxathian-6-yl] acetate
SMILESCC(=O)O[C@H]1CCC[S@@](=O)O1
InChIInChI=1S/C6H10O4S/c1-5(7)9-6-3-2-4-11(8)10-6/h6H,2-4H2,1H3/t6-,11+/m1/s1
InChIKeyVXFHBAREWMYRNH-KBUNVGBDSA-N
XLogP0.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-acetyloxycyclodecyl) acetate
CID 539578
[(6S)-2-oxo-3,6-dihydrooxathiin-6-yl] acetate
CID 100947044
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl acetate
CID 142155546
cycloheptadecyl acetate
CID 57215828
(5-bromooxan-2-yl) acetate
CID 91987610
cyclopropane;oxan-4-yl acetate
CID 69401848
azane;cyclohexyl acetate
CID 174554221
cyclohexyl acetate;dihydrochloride
CID 140971070
(2,6,9-triacetyloxy-13-oxo-13lambda4-thiabicyclo[8.2.1]tridecan-5-yl) acetate
CID 13013140
lithium;carbanide;cyclohexyl acetate
CID 158677387
(2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl) acetate
CID 58529073
[(2R,4aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate
CID 123494192

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2-oxooxathian-6-yl] acetate?
The IUPAC name of [(2S,6R)-2-oxooxathian-6-yl] acetate (CID 134986503) is [(2S,6R)-2-oxooxathian-6-yl] acetate.
What is the SMILES notation for [(2S,6R)-2-oxooxathian-6-yl] acetate?
The canonical SMILES for [(2S,6R)-2-oxooxathian-6-yl] acetate is CC(=O)O[C@H]1CCC[S@@](=O)O1.
What is the InChIKey of [(2S,6R)-2-oxooxathian-6-yl] acetate?
The InChIKey is VXFHBAREWMYRNH-KBUNVGBDSA-N. The full InChI is InChI=1S/C6H10O4S/c1-5(7)9-6-3-2-4-11(8)10-6/h6H,2-4H2,1H3/t6-,11+/m1/s1.
What are the key properties of [(2S,6R)-2-oxooxathian-6-yl] acetate?
[(2S,6R)-2-oxooxathian-6-yl] acetate has a molecular weight of 178.21 g/mol, XLogP of 0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2-oxooxathian-6-yl] acetate is sourced from PubChem (CID 134986503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).