Basic information
- CAS
66389-39-7- Standard SMILES
CCc1cccc2c1[C@H]1O[C@H](C=C=CBr)C[C@H]1O2- InChIKey
SKPPEIDJGJGRGK-ISQAOBFQSA-N- Molecular formula
- C15H15BrO2
- Average molar mass
- 307.18 g/mol
- Monoisotopic mass
- 306.02554
Overview
structure in first source
Names & identifiers
- Preferred name
- Panacene
- IUPAC
- (2S,3aR,8bR)-2-(3-bromopropa-1,2-dienyl)-8-ethyl-2,3,3a,8b-tetrahydrofuro[3,2-b][1]benzofuran
- English name
- PANACENE
- Molecular formula
- C15H15BrO2
- Molecular weight
- 307.18
Names & synonyms
PANACENE66389-39-7DTXSID80216607RefChem:169815DTXCID701390982beta-(3-Bromopropadienyl)-8-ethyl-2,3,3abeta,8bbeta-tetrahydrofuro(3,2-b)benzofuranSCHEMBL29588343(2S,3aR,8bR)-2-(3-Bromopropadienyl)-8-ethyl-2,3,3a,8b-tetrahydrofuro[3,2-b][1]benzofuranFuro[3,2-b]benzofuran, 2-[(1R)-3-bromo-1,2-propadien-1-yl]-8-ethyl-2,3,3a,8b-tetrahydro-, (2S,3aR,8bR)-
Database identifiers
- CAS
66389-39-7- PubChem CID
- 181799
- DTXSID
DTXSID80216607- Nikkaji
- J2.351.737J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Boiling point
- 376.2 · 376.2±42.0 °C(Predicted)
- Density
- 1.426 · 1.426±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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