Basic information
- Standard SMILES
CCOC(=O)C(C)(C)SC[C@H]1COCCO1- InChIKey
HIMDKYPCSMZPHT-SECBINFHSA-N- Molecular formula
- C11H20O4S
- Average molar mass
- 248.34 g/mol
Names & identifiers
- Preferred name
- ethyl 2-{[(2R)-1,4-dioxan-2-ylmethyl]sulfanyl}-2-methylpropanoate
- IUPAC
- ethyl 2-[[(2R)-1,4-dioxan-2-yl]methylsulfanyl]-2-methylpropanoate
Names & synonyms
SCHEMBL766899HIMDKYPCSMZPHT-SECBINFHSA-Nethyl 2-{[(2R)-1,4-dioxan-2-ylmethyl]sulfanyl}-2-methylpropanoate
Database identifiers
- PubChem CID
- 59253236
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 230
Related reactions
2 records
Compound notes
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