5-(2-methoxy-1,3-dithian-2-yl)-5-methyloxolan-2-one

C10H16O3S2 — CID 11368663

IUPAC5-(2-methoxy-1,3-dithian-2-yl)-5-methyloxolan-2-one
SMILESCOC1(C2(C)CCC(=O)O2)SCCCS1
InChIInChI=1S/C10H16O3S2/c1-9(5-4-8(11)13-9)10(12-2)14-6-3-7-15-10/h3-7H2,1-2H3
InChIKeyVIEKSXKMUFRYIL-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.25
Rot. Bonds2

About 5-(2-methoxy-1,3-dithian-2-yl)-5-methyloxolan-2-one

5-(2-methoxy-1,3-dithian-2-yl)-5-methyloxolan-2-one (PubChem CID 11368663) has the molecular formula C10H16O3S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-(2-methoxy-1,3-dithian-2-yl)-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-(2-methoxy-1,3-dithian-2-yl)-5-methyloxolan-2-one
PubChem CID11368663
Molecular FormulaC10H16O3S2
Molecular Weight248.37 g/mol
Exact Mass248.05
IUPAC Name5-(2-methoxy-1,3-dithian-2-yl)-5-methyloxolan-2-one
SMILESCOC1(C2(C)CCC(=O)O2)SCCCS1
InChIInChI=1S/C10H16O3S2/c1-9(5-4-8(11)13-9)10(12-2)14-6-3-7-15-10/h3-7H2,1-2H3
InChIKeyVIEKSXKMUFRYIL-UHFFFAOYSA-N
XLogP2.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-1,3-dithian-2-yl)-5-methyloxolan-2-one?
The IUPAC name of 5-(2-methoxy-1,3-dithian-2-yl)-5-methyloxolan-2-one (CID 11368663) is 5-(2-methoxy-1,3-dithian-2-yl)-5-methyloxolan-2-one.
What is the SMILES notation for 5-(2-methoxy-1,3-dithian-2-yl)-5-methyloxolan-2-one?
The canonical SMILES for 5-(2-methoxy-1,3-dithian-2-yl)-5-methyloxolan-2-one is COC1(C2(C)CCC(=O)O2)SCCCS1.
What is the InChIKey of 5-(2-methoxy-1,3-dithian-2-yl)-5-methyloxolan-2-one?
The InChIKey is VIEKSXKMUFRYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3S2/c1-9(5-4-8(11)13-9)10(12-2)14-6-3-7-15-10/h3-7H2,1-2H3.
What are the key properties of 5-(2-methoxy-1,3-dithian-2-yl)-5-methyloxolan-2-one?
5-(2-methoxy-1,3-dithian-2-yl)-5-methyloxolan-2-one has a molecular weight of 248.37 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-1,3-dithian-2-yl)-5-methyloxolan-2-one is sourced from PubChem (CID 11368663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).