Basic information
- CAS
139477-52-4- Standard SMILES
CC/C=C/CCCCC1C=COC1=O- InChIKey
ADZMLQKJPQFTIS-TVRMLOFPSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Names & identifiers
- Preferred name
- 3-((E)-Oct-5-enyl)-3H-furan-2-one
- IUPAC
- 3-[(E)-oct-5-enyl]-3H-furan-2-one
- English name
- buibuilactone
- Molecular formula
- C12H20O2
- Molecular weight
- 196.29
Names & synonyms
3-((E)-Oct-5-enyl)-3H-furan-2-one3-[(E)-oct-5-enyl]-3H-furan-2-one(R-(Z))-5-(Oct-1-enyl)oxacyclopentan-2-onebuibuilactone2(3H)-Furanone, dihydro-5-(1Z)-1-octen-1-yl-, (5R)-
Database identifiers
- CAS
139477-52-4- PubChem CID
- 6444239
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Boiling point
- 309 · 309.0±31.0 °C(Predicted)
- Density
- 1.008 · 1.008±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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