2-(4-Methoxyphenyl)-2-methyl-1,3-oxathiolane
Basic information
- CAS
100058-73-9- Standard SMILES
COc1ccc(C2(C)OCCS2)cc1- InChIKey
CPKMGVIZXNRMPD-UHFFFAOYSA-N- Molecular formula
- C11H14O2S
- Average molar mass
- 210.29 g/mol
- Monoisotopic mass
- 210.07145086
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)-2-methyl-1,3-oxathiolane
- IUPAC
- 2-(4-methoxyphenyl)-2-methyl-1,3-oxathiolane
Names & synonyms
2-(4-methoxyphenyl)-2-methyl-1,3-oxathiolane100058-73-9RefChem:2525151,3-Oxathiolane, 2-(4-methoxyphenyl)-2-methyl-CPKMGVIZXNRMPD-UHFFFAOYSA-NDTXSID001256096Methyl 4-(2-methyl-1,3-oxathiolan-2-yl)phenyl ether #
Database identifiers
- CAS
100058-73-9- PubChem CID
- 585282
- DTXSID
DTXSID001256096
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 190
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Compound notes
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