5-[2-[(2-oxo-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolan-2-one

C10H14O6S2 — CID 154608104

IUPAC5-[2-[(2-oxo-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolan-2-one
SMILESO=C1OC(COCCOCC2CSC(=O)O2)CS1
InChIInChI=1S/C10H14O6S2/c11-9-15-7(5-17-9)3-13-1-2-14-4-8-6-18-10(12)16-8/h7-8H,1-6H2
InChIKeyVFKJERWECGDUSD-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.52
Rot. Bonds7

About 5-[2-[(2-oxo-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolan-2-one

5-[2-[(2-oxo-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolan-2-one (PubChem CID 154608104) has the molecular formula C10H14O6S2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-[2-[(2-oxo-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolan-2-one.

Molecular Properties

Compound Name5-[2-[(2-oxo-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolan-2-one
PubChem CID154608104
Molecular FormulaC10H14O6S2
Molecular Weight294.35 g/mol
Exact Mass294.02
IUPAC Name5-[2-[(2-oxo-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolan-2-one
SMILESO=C1OC(COCCOCC2CSC(=O)O2)CS1
InChIInChI=1S/C10H14O6S2/c11-9-15-7(5-17-9)3-13-1-2-14-4-8-6-18-10(12)16-8/h7-8H,1-6H2
InChIKeyVFKJERWECGDUSD-UHFFFAOYSA-N
XLogP1.52
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-oxo-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolan-2-one?
The IUPAC name of 5-[2-[(2-oxo-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolan-2-one (CID 154608104) is 5-[2-[(2-oxo-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolan-2-one.
What is the SMILES notation for 5-[2-[(2-oxo-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolan-2-one?
The canonical SMILES for 5-[2-[(2-oxo-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolan-2-one is O=C1OC(COCCOCC2CSC(=O)O2)CS1.
What is the InChIKey of 5-[2-[(2-oxo-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolan-2-one?
The InChIKey is VFKJERWECGDUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6S2/c11-9-15-7(5-17-9)3-13-1-2-14-4-8-6-18-10(12)16-8/h7-8H,1-6H2.
What are the key properties of 5-[2-[(2-oxo-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolan-2-one?
5-[2-[(2-oxo-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolan-2-one has a molecular weight of 294.35 g/mol, XLogP of 1.52, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-oxo-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolan-2-one is sourced from PubChem (CID 154608104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).