Basic information
- CAS
33868-62-1- Standard SMILES
CCOC(=O)CC1(C)OCCS1- InChIKey
GJRZXAUPJGXYBA-UHFFFAOYSA-N- Molecular formula
- C8H14O3S
- Average molar mass
- 190.26 g/mol
- Monoisotopic mass
- 190.06636548
Names & identifiers
- Preferred name
- 1,3-Oxathiolane-2-acetic acid, 2-methyl-, ethyl ester
- IUPAC
- ethyl 2-(2-methyl-1,3-oxathiolan-2-yl)acetate
Names & synonyms
33868-62-1DTXSID403382981,3-Oxathiolane-2-acetic acid, 2-methyl-, ethyl esterRefChem:219393DTXCID102893842-Methyl-1,3-oxathiolane-2-acetic acid ethyl esterEthyl (2-methyl-1,3-oxathiolan-2-yl)acetateGJRZXAUPJGXYBA-UHFFFAOYSA-NEthyl (2-methyl-1,3-oxathiolan-2-yl)acetate #
Database identifiers
- CAS
33868-62-1- PubChem CID
- 548205
- DTXSID
DTXSID40338298- Nikkaji
- J1.791.215A
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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