Basic information
- CAS
55764-18-6- Standard SMILES
O=C1CC2CC(O1)C1CCCC21- InChIKey
MHCQWHPTAZHNSX-UHFFFAOYSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.09937969
Names & identifiers
- Preferred name
- 1,5-Methano-3H-cyclopent[c]oxepin-3-one, octahydro-
- IUPAC
- 8-oxatricyclo[5.3.1.02,6]undecan-9-one
- English name
- octahydro-1,5-methano-3H-cyclopent[c]oxepin-3-one
- Molecular formula
- C10H14O2
- Molecular weight
- 166.22
Names & synonyms
EINECS 259-798-6octahydro-1,5-methano-3H-cyclopent[c]oxepin-3-one1,5-Methano-3H-cyclopent[c]oxepin-3-one, octahydro-Octahydro-1,5-methano-3H-cyclopen(c)oxepin-3-one8-Oxa-9-ketotricyclo(5.3.1.0(sup 2,6))undecane1,5-Methano-3H-cyclopent(c)oxepin-3-one, octahydro-DTXSID70866498Octahydro-1,5-methano-3H-cyclopent(c)oxepin-3-one8-Oxatricyclo(5.3.1.0(sup 2,6))undecane, 9-oxo-RefChem:221412DTXCID90814779259-798-6
Show more names
55764-18-6SCHEMBL8628970NS000549538-Oxatricyclo[5.3.1.02,6 ]undecan-9-onOctahydro-3H-1,5-methanocyclopenta[c]oxepin-3-one
Database identifiers
- CAS
55764-18-6- PubChem CID
- 108360
- DTXSID
DTXSID70866498- EC Number
- 259-798-6
- Nikkaji
- J86.069G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 205 °C · 205°C (estimate)
- Density
- 1.0292 · 1.0292 (rough estimate)
- refractive index
- 1.5103 · 1.5103 (estimate)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 1 · 1,5-Methano-3H-cyclopent[c]oxepin-3-one, octahydro- (55764-18-6)
- TSCA
- TSCA listed
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 840 mg/kg TXAPA9 28,313,74
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1,5-Methano-3H-cyclopent[c]oxepin-3-one, octahydro-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
- Toxicity
- LD50 orl-rat: 840 mg/kg TXAPA9 28,313,74
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,5-Methano-3H-cyclopent[c]oxepin-3-one, octahydro-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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