2-[(Oxolan-2-yl)sulfanyl]ethyl decanoate
Basic information
- CAS
594871-48-4- Standard SMILES
CCCCCCCCCC(=O)OCCSC1CCCO1- InChIKey
KKPGFKKNNLAMMS-UHFFFAOYSA-N- Molecular formula
- C16H30O3S
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 302.19156599
Names & identifiers
- Preferred name
- 2-[(Oxolan-2-yl)sulfanyl]ethyl decanoate
- IUPAC
- 2-(oxolan-2-ylsulfanyl)ethyl decanoate
Names & synonyms
594871-48-42-((Tetrahydrofuran-2-yl)thio)ethyl decanoate2-[(Oxolan-2-yl)sulfanyl]ethyl decanoateDTXSID60787128
Database identifiers
- CAS
594871-48-4- PubChem CID
- 71363613
- DTXSID
DTXSID60787128
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…