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Basic information
- CAS
156382-50-2- Standard SMILES
CO[C@H]1O[C@@]2(C)OOC13[C@H](CCO)CCC[C@@H]3CC2(C)C- InChIKey
BCUBFQJBIVOSFG-QXRAWODBSA-N- Molecular formula
- C16H28O5
- Average molar mass
- 300.395 g/mol
- Monoisotopic mass
- 300.193674
Names & identifiers
- Preferred name
- 2-(1-Methoxy-3,4,4-trimethyloctahydro-1H-3,9a-epidioxy-2-benzoxepin-9-yl)ethan-1-ol
- IUPAC
- 2-[(1S,3S,5aR,9S)-1-Methoxy-3,4,4-trimethyloctahydro-1H-3,9a-epidioxy-2-benzoxepin-9-yl]ethan-1-ol
- English name
- octahydro-9-hydroxyethyl-1-methoxy-3,4,4-trimethyl-1H-3,9a-peroxy-2-benzoxepin
- Molecular formula
- C16H28O5
- Molecular weight
- 300.39
Names & synonyms
octahydro-9-hydroxyethyl-1-methoxy-3,4,4-trimethyl-1H-3,9a-peroxy-2-benzoxepin3,9a-(Epoxymethano)-9aH-1,2-benzodioxepin-9-ethanol, octahydro-10-methoxy-3,4,4-trimethyl-, (3R,5aR,9S,9aR,10S)-rel- (9CI)
Database identifiers
- CAS
156382-50-2- PubChem CID
- 190835
- DTXSID
DTXSID30935432
Properties
Physicochemical properties
- Boiling point
- 375.6 · 375.6±42.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 15.05 · 15.05±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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