Bohlmann K3089
Basic information
- CAS
36238-02-5- Standard SMILES
CC(C)=CC(=O)CC1(C)CCC(c2ccoc2)O1- InChIKey
QQYXBLIHHIHFCW-UHFFFAOYSA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Names & identifiers
- Preferred name
- Bohlmann K3089
- IUPAC
- 1-[5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpent-3-en-2-one
- English name
- 4-Methyl-1-(2,3,4,5-tetrahydro-5-methyl-2,3'-bifuran-5-yl)-3-penten-2-one
- Molecular formula
- C15H20O3
- Molecular weight
- 248.32
Names & synonyms
BOHLMANN K30891-[5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpent-3-en-2-one36238-02-5DTXSID403163343-Penten-2-one, 1-[5-(3-furanyl)tetrahydro-2-methyl-2-furanyl]-4-methyl-1-(5-(furan-3-yl)-2-methyloxolan-2-yl)-4-methylpent-3-en-2-one3-Penten-2-one, 1-(5-(3-furanyl)tetrahydro-2-methyl-2-furanyl)-4-methyl-RefChem:120873DTXCID80267457QQYXBLIHHIHFCW-UHFFFAOYSA-NNSC302292NSC-302292
Show more names
4-Methyl-1-(2,3,4,5-tetrahydro-5-methyl-2,3'-bifuran-5-yl)-3-penten-2-one3-Penten-2-one, 4-methyl-1-(2,3,4,5-tetrahydro-5-methyl[2,3'-bifuran]-5-yl)-
1-[5-(3-Furyl)-2-methyltetrahydro-2-furanyl]-4-methyl-3-penten-2-one #
Database identifiers
- CAS
36238-02-5- PubChem CID
- 327381
- DTXSID
DTXSID40316334- Nikkaji
- J113.259H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Boiling point
- 362 · 362.0±27.0 °C(Predicted)
- Density
- 1.037 · 1.037±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…