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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 190835Generated: November 3, 2026

Octahydro-9-hydroxyethyl-1-methoxy-3,4,4-trimethyl-1H-3,9a-peroxy-2-benzoxepin

octahydro-9-hydroxyethyl-1-methoxy-3,4,4-trimethyl-1H-3,9a-peroxy-2-benzoxepin · 3,9a-(Epoxymethano)-9aH-1,2-benzodioxepin-9-ethanol, octahydro-10-methoxy-3,4,4-trimethyl-, (3R,5aR,9S,9aR,10S)-rel- (9CI)

https://huagongshe.com/en/chemical/190835

Octahydro-9-hydroxyethyl-1-methoxy-3,4,4-trimethyl-1H-3,9a-peroxy-2-benzoxepin molecular structure

Identifiers & Physical Properties

CAS No.156382-50-2
Molecular formulaC16H28O5
Average molar mass300.39 g/mol
Monoisotopic mass300.19367399 g/mol
SMILESCO[C@H]1O[C@@]2(C)OOC13[C@H](CCO)CCC[C@@H]3CC2(C)C
InChIKeyBCUBFQJBIVOSFG-QXRAWODBSA-N
PubChem CID190835
DTXSIDDTXSID30935432

Chemical & Physical Properties

XLogP2.5
Topological polar surface area57.2
Hydrogen bond donors1
Hydrogen bond acceptors5
Rotatable bonds3
Heavy atoms21
Formal charge0
Complexity398
Boiling point375.6±42.0 °C(Predicted)
Density1.15±0.1 g/cm3(Predicted)
pKa (acidity coefficient)15.05±0.10(Predicted)