(2R,3aR,5R,6S,8Z,10aR)-6-bromo-2-(3-bromopropa-1,2-dienyl)-5-ethyl-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonine
Basic information
- CAS
83140-64-1- Standard SMILES
CC[C@H]1O[C@@H]2C[C@H](C=C=CBr)O[C@@H]2C/C=C\C[C@@H]1Br- InChIKey
MFIOGNKPHIMUQN-VGWHHXMBSA-N- Molecular formula
- C15H20Br2O2
- Average molar mass
- 392.13 g/mol
- Monoisotopic mass
- 389.98301
Names & identifiers
- Preferred name
- (2R,3aR,5R,6S,8Z,10aR)-6-bromo-2-(3-bromopropa-1,2-dienyl)-5-ethyl-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonine
- IUPAC
- (2R,3aR,5R,6S,8Z,10aR)-6-bromo-2-(3-bromopropa-1,2-dienyl)-5-ethyl-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonine
Names & synonyms
AC1LCSGZDTXSID80348376(2R,3aR,5R,6S,8Z,10aR)-6-Bromo-2-(3-bromopropadienyl)-5-ethyl-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonine
Database identifiers
- CAS
83140-64-1- PubChem CID
- 636552
- DTXSID
DTXSID80348376
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…