Basic information
- CAS
42482-07-5- Standard SMILES
CCCCCCCCCCCCCC=CCC1CC(=O)OC1=O- InChIKey
MZDVKESGWJINHY-UHFFFAOYSA-N- Molecular formula
- C20H34O3
- Average molar mass
- 322.5 g/mol
- Monoisotopic mass
- 322.25079494
Names & identifiers
- Preferred name
- 3-(Hexadec-2-en-1-yl)oxolane-2,5-dione
- IUPAC
- 3-hexadec-2-enyloxolane-2,5-dione
- English name
- 3-(2-hexadecenyl)dihydrofuran-2,5-dione
- Molecular formula
- C20H34O3
- Molecular weight
- 322.48
Names & synonyms
SCHEMBL5513034MZDVKESGWJINHY-UHFFFAOYSA-N3-(hexadec-2-en-1-yl)oxolane-2,5-dioneNS000573303-(2-Hexadecenyl)furan-2,5(3H,4H)-dione3-(2-Hexadecenyl)dihydro-2,5-furandione3-(2-hexadecenyl)dihydrofuran-2,5-dione
Database identifiers
- CAS
42482-07-5- PubChem CID
- 520558
- DTXSID
DTXSID60884823
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- Boiling point
- 442.434 · 442.434±14.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.963 · 0.963±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- EPA Substance Registry System
- 2 · 2,5-Furandione, 3-(2-hexadecenyl)dihydro- (42482-07-5)
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Suppliers1 total
泰兴市海川生物科技有限公司19353112242 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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