4a,7-Ethano-4aH-naphth[1,8a-b]oxirene, octahydro-4,4,7-trimethyl-
Basic information
- CAS
51115-88-9- Standard SMILES
CC12CCC3(CC1)C(C)(C)CCC1OC13C2- InChIKey
KGWCEBVNLVTVQH-UHFFFAOYSA-N- Molecular formula
- C15H24O
- Average molar mass
- 220.35 g/mol
- Monoisotopic mass
- 220.18271539
Names & identifiers
- Preferred name
- 4a,7-Ethano-4aH-naphth[1,8a-b]oxirene, octahydro-4,4,7-trimethyl-
- IUPAC
- 2,2,9-trimethyl-6-oxatetracyclo[7.2.2.01,7.05,7]tridecane
Names & synonyms
EINECS 256-991-7Octahydro-4,4,7-trimethyl-4a,7-ethano-4aH-naphth(1,8a-b)oxirene4a,7-Ethano-4aH-naphth[1,8a-b]oxirene, octahydro-4,4,7-trimethyl-DTXSID40866182Octahydro-4,4,7-trimethyl-4a,7-ethano-4aH-naphth[1,8a-b]oxirene4a,7-Ethano-4aH-naphth(1,8a-b)oxirene, octahydro-4,4,7-trimethyl-RefChem:296696DTXCID70814499256-991-751115-88-9SCHEMBL29827859KGWCEBVNLVTVQH-UHFFFAOYSA-N
Show more names
NS000130754,4,7-Trimethyloctahydro-4a,7-ethanonaphtho[1,8a-b]oxirene
Database identifiers
- CAS
51115-88-9- PubChem CID
- 170979
- DTXSID
DTXSID40866182- EC Number
- 256-991-7
- Nikkaji
- J422.562G
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 348
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
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: 4a,7-Ethano-4aH-naphth[1,8a-b]oxirene, octahydro-4,4,7-trimethyl-
Other Safety InformationIMAP assessments - 4a,7-Ethano-4aH-naphth[1,8a-b]oxirene, octahydro-4,4,7-trimethyl-: Human health tier I assessment
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4a,7-Ethano-4aH-naphth[1,8a-b]oxirene, octahydro-4,4,7-trimethyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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